(diphenylmethyl) 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-ynoxyimino-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-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-ynoxyimino-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-(2-aminothiazol-4-yl)-2-prop-2-ynoxyimino-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-(2-amino-4-thiazolyl)-1-oxo-2-prop-2-ynoxyiminoethyl]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-(2-amino-1,3-thiazol-4-yl)-2-prop-2-ynoxyiminoacetyl]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-(2-aminothiazol-4-yl)-2-propargyloximino-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: C35H28N6O5S3 MolecularWeight: 708.82902

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Descriptors Computed from Structure

Canonical SMILES:

C#CCON=C(C1=CSC(=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=CSC(=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/C35H28N6O5S3/c1-2-17-45-40-27(25-20-49-35(36)38-25)31(42)39-28-32(43)41-29(26(21-48-33(28)41)47-18-15-22-10-9-16-37-19-22)34(44)46-30(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h1,3-16,18-20,28,30,33H,17,21H2,(H2,36,38)(H,39,42)/b18-15+,40-27+