(diphenylmethyl) 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-3-[(E)-2-cyanoethenyl]sulfanyl-8-oxidanylidene-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]-3-[(E)-2-cyanoethenyl]sulfanyl-8-oxidanylidene-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]-3-[(E)-2-cyanovinyl]sulfanyl-8-oxo-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]-3-[[(E)-2-cyanoethenyl]thio]-8-oxo-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]-3-[(E)-2-cyanoethenyl]sulfanyl-8-oxo-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]-3-[[(E)-2-cyanovinyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C30H25N7O5S3 MolecularWeight: 659.7584

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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=CC#N)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H25N7O5S3/c1-2-15-41-35-21(25-34-30(32)45-36-25)26(38)33-22-27(39)37-23(20(17-44-28(22)37)43-16-9-14-31)29(40)42-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h2-13,16,22,24,28H,1,15,17H2,(H,33,38)(H2,32,34,36)/b16-9+,35-21+