methyl 4-[[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(3-methylanilino)-4-oxo-butyl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(3-methylanilino)-4-oxobutyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-methylanilino)-4-oxobutyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-keto-4-(m-toluidino)butyl]thio]methyl]benzoic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H23NO3S/c1-15-5-3-6-18(13-15)21-19(22)7-4-12-25-14-16-8-10-17(11-9-16)20(23)24-2/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,21,22)