methyl 2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-ethoxy-2-oxoethyl)thio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)thio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C

InChI

InChI=1S/C18H22N2O5S/c1-5-25-15(21)10-26-18-19-14-8-12(17(23)24-4)6-7-13(14)16(22)20(18)9-11(2)3/h6-8,11H,5,9-10H2,1-4H3