methyl 4-[[1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-keto-1-methyl-2-(o-anisylamino)ethyl]thio]methyl]benzoic acid methyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1OC)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H23NO4S/c1-14(19(22)21-12-17-6-4-5-7-18(17)24-2)26-13-15-8-10-16(11-9-15)20(23)25-3/h4-11,14H,12-13H2,1-3H3,(H,21,22)