[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C20H19NO3S2 MolecularWeight: 385.49976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO3S2/c22-19(21-10-11-25-14-15-6-2-1-3-7-15)13-24-20(23)18-12-16-8-4-5-9-17(16)26-18/h1-9,12H,10-11,13-14H2,(H,21,22)