methyl 4-[3-(ethanoylsulfanylmethyl)-4-[(2-methoxy-2-oxidanylidene-ethyl)-phenyl-amino]-4-oxidanylidene-butyl]benzoate

Systemtic Name: methyl 4-[3-(ethanoylsulfanylmethyl)-4-[(2-methoxy-2-oxidanylidene-ethyl)-phenyl-amino]-4-oxidanylidene-butyl]benzoate Openeye Name: methyl 4-[3-(acetylsulfanylmethyl)-4-(N-(2-methoxy-2-oxo-ethyl)anilino)-4-oxo-butyl]benzoate CAS Name: 4-[3-[(acetylthio)methyl]-4-(N-(2-methoxy-2-oxoethyl)anilino)-4-oxobutyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(acetylsulfanylmethyl)-4-(N-(2-methoxy-2-oxoethyl)anilino)-4-oxobutyl]benzoate Traditional Name: 4-[3-[(acetylthio)methyl]-4-keto-4-(N-(2-keto-2-methoxy-ethyl)anilino)butyl]benzoic acid methyl ester Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCC1=CC=C(C=C1)C(=O)OC)C(=O)N(CC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(CCC1=CC=C(C=C1)C(=O)OC)C(=O)N(CC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C24H27NO6S/c1-17(26)32-16-20(14-11-18-9-12-19(13-10-18)24(29)31-3)23(28)25(15-22(27)30-2)21-7-5-4-6-8-21/h4-10,12-13,20H,11,14-16H2,1-3H3