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

Systemtic Name: 4-[[4-[2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[2-(2-methylanilino)thiazol-4-yl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[2-(2-methylanilino)-4-thiazolyl]anilino]-4-oxobutanoate IUPAC Name: 4-[4-[2-(2-methylanilino)-1,3-thiazol-4-yl]anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-[2-(o-toluidino)thiazol-4-yl]anilino]butyrate Formula: C20H18N3O3S- MolecularWeight: 380.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c1-13-4-2-3-5-16(13)22-20-23-17(12-27-20)14-6-8-15(9-7-14)21-18(24)10-11-19(25)26/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)(H,25,26)/p-1