(3-methoxycarbonylphenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3-methoxycarbonylphenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid (3-carbomethoxybenzyl) ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C21H23NO6S/c1-26-11-10-22-19(23)14-29-18-9-4-3-8-17(18)21(25)28-13-15-6-5-7-16(12-15)20(24)27-2/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,23)