[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C16H12N2O4S3 MolecularWeight: 392.47248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)OCC(=O)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)OCC(=O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C16H12N2O4S3/c19-13(18-15(21)12-6-3-7-23-12)8-22-14(20)9-24-16-17-10-4-1-2-5-11(10)25-16/h1-7H,8-9H2,(H,18,19,21)