(diphenylmethyl) 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-8-oxidanylidene-4-[(E)-2-pyridin-2-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-4-[(E)-2-pyridin-2-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-4-[(E)-2-(2-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-4-[[(E)-2-(2-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-4-[(E)-2-pyridin-2-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-4-[[(E)-2-(2-pyridyl)vinyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C34H29N7O5S3 MolecularWeight: 711.83296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CC(S3)SC=CC4=CC=CC=N4)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(=CC(S3)S/C=C/C4=CC=CC=N4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H29N7O5S3/c1-2-18-45-39-26(29-38-34(35)49-40-29)30(42)37-27-31(43)41-24(20-25(48-32(27)41)47-19-16-23-15-9-10-17-36-23)33(44)46-28(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h2-17,19-20,25,27-28,32H,1,18H2,(H,37,42)(H2,35,38,40)/b19-16+,39-26+