[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)butanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H21N3O4S/c1-29-17-10-5-4-9-16(17)23-19(25)13-28-20(26)12-6-11-18-22-15-8-3-2-7-14(15)21(27)24-18/h2-5,7-10H,6,11-13H2,1H3,(H,23,25)(H,22,24,27)