ethyl 2-chloranyl-5-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-chloro-5-[[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-chloro-5-[[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[(4-keto-1H-quinazolin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H16ClN3O4S MolecularWeight: 417.86604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2)Cl

InChI

InChI=1S/C19H16ClN3O4S/c1-2-27-18(26)13-9-11(7-8-14(13)20)21-16(24)10-28-19-22-15-6-4-3-5-12(15)17(25)23-19/h3-9H,2,10H2,1H3,(H,21,24)(H,22,23,25)