dimethyl 5-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)thio]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-keto-1H-quinazolin-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C20H17N3O6S/c1-28-18(26)11-7-12(19(27)29-2)9-13(8-11)21-16(24)10-30-20-22-15-6-4-3-5-14(15)17(25)23-20/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23,25)