(diphenylmethyl) 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(E)-2-pyridin-3-ylethenyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(E)-2-pyridin-3-ylethenyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2E)-2-allyloxyimino-2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl]amino]-8-oxo-3-[(E)-2-(3-pyridyl)vinyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-1-oxo-2-prop-2-enoxyiminoethyl]amino]-8-oxo-3-[[(E)-2-(3-pyridinyl)ethenyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-prop-2-enoxyiminoacetyl]amino]-8-oxo-3-[(E)-2-pyridin-3-ylethenyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-allyloximino-2-(5-amino-1,2,4-thiadiazol-3-yl)acetyl]amino]-8-keto-3-[[(E)-2-(3-pyridyl)vinyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C34H29N7O5S3 MolecularWeight: 711.83296

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Descriptors Computed from Structure

Canonical SMILES:

C=CCON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)SC=CC4=CN=CC=C4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C=CCO/N=C(\C1=NSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)S/C=C/C4=CN=CC=C4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H29N7O5S3/c1-2-17-45-39-25(29-38-34(35)49-40-29)30(42)37-26-31(43)41-27(24(20-48-32(26)41)47-18-15-21-10-9-16-36-19-21)33(44)46-28(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h2-16,18-19,26,28,32H,1,17,20H2,(H,37,42)(H2,35,38,40)/b18-15+,39-25+