[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=CN2)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=CN2)SCC(=O)N

InChI

InChI=1S/C15H14N2O4S/c16-14(19)9-22-13-6-2-1-4-10(13)15(20)21-8-12(18)11-5-3-7-17-11/h1-7,17H,8-9H2,(H2,16,19)