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

Systemtic Name: methyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC(=O)OC

InChI

InChI=1S/C19H18N2O3S/c1-12-3-8-15-16(11-12)25-19(21-15)13-4-6-14(7-5-13)20-17(22)9-10-18(23)24-2/h3-8,11H,9-10H2,1-2H3,(H,20,22)