2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazoline-4-carboxylic acid

Systemtic Name: 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazoline-4-carboxylic acid Openeye Name: 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylquinazoline-4-carboxylic acid CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-4-quinazolinecarboxylic acid IUPAC Name: 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylquinazoline-4-carboxylic acid Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]quinazoline-4-carboxylic acid Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)C(=O)O)C

InChI

InChI=1S/C19H17N3O3S/c1-11-7-8-14(12(2)9-11)20-16(23)10-26-19-21-15-6-4-3-5-13(15)17(22-19)18(24)25/h3-9H,10H2,1-2H3,(H,20,23)(H,24,25)