(3,4-dimethylphenyl) 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: (3,4-dimethylphenyl) 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate Openeye Name: (3,4-dimethylphenyl) 4-(1,3-benzothiazol-2-ylamino)-4-oxo-butanoate CAS Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate Traditional Name: 4-(1,3-benzothiazol-2-ylamino)-4-keto-butyric acid (3,4-dimethylphenyl) ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)CCC(=O)NC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)CCC(=O)NC2=NC3=CC=CC=C3S2)C

InChI

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