methyl 3-[4-[(2-methylphenyl)amino]-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-[(2-methylphenyl)amino]-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylpropanoate Openeye Name: methyl 3-[4-(2-methylanilino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]sulfanylpropanoate CAS Name: 3-[[4-(2-methylanilino)-3,6-dioxo-1-cyclohexa-1,4-dienyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-methylanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]sulfanylpropanoate Traditional Name: 3-[[3,6-diketo-4-(o-toluidino)cyclohexa-1,4-dien-1-yl]thio]propionic acid methyl ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=CC(=O)C(=CC2=O)SCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC2=CC(=O)C(=CC2=O)SCCC(=O)OC

InChI

InChI=1S/C17H17NO4S/c1-11-5-3-4-6-12(11)18-13-9-15(20)16(10-14(13)19)23-8-7-17(21)22-2/h3-6,9-10,18H,7-8H2,1-2H3