methyl 4-[[[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[[2-[[2-(dimethylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)N(C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)N(C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-22(2)19(24)14-28-18-8-6-5-7-17(18)20(25)23(3)13-15-9-11-16(12-10-15)21(26)27-4/h5-12H,13-14H2,1-4H3