3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-4-[(phenylmethyl)carbamoyloxy]butanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-4-[(phenylmethyl)carbamoyloxy]butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(benzylcarbamoyloxy)-4-oxo-butanoic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-4-[oxo-[(phenylmethyl)amino]methoxy]butanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(benzylcarbamoyloxy)-4-oxobutanoic acid Traditional Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-(benzylcarbamoyloxy)-4-keto-butyric acid Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)OC(=O)C(CC(=O)O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)OC(=O)C(CC(=O)O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H18N2O5S2/c23-17(24)10-14(12-28-20-22-15-8-4-5-9-16(15)29-20)18(25)27-19(26)21-11-13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,21,26)(H,23,24)