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

Systemtic Name: (4-methoxycarbonylphenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid (4-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=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

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