(4-methylphenyl) 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-methylphenyl) 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: p-tolyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]butyric acid p-tolyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C25H22N2O3S/c1-16-3-10-20(11-4-16)30-24(29)14-13-23(28)26-19-8-6-18(7-9-19)25-27-21-12-5-17(2)15-22(21)31-25/h3-12,15H,13-14H2,1-2H3,(H,26,28)