[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-keto-2-(3-methylbenzothiophen-2-yl)ethyl] ester Formula: C20H17NO4S2 MolecularWeight: 399.48328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)C3=CC=CC=C3SCC(=O)N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)C3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C20H17NO4S2/c1-12-13-6-2-5-9-17(13)27-19(12)15(22)10-25-20(24)14-7-3-4-8-16(14)26-11-18(21)23/h2-9H,10-11H2,1H3,(H2,21,23)