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

Systemtic Name: ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate Openeye Name: ethyl 3-benzyl-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-ethoxy-2-oxoethyl)thio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-benzyl-2-[(2-ethoxy-2-keto-ethyl)thio]-4-keto-quinazoline-7-carboxylic acid ethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OCC)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OCC)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5S/c1-3-28-19(25)14-30-22-23-18-12-16(21(27)29-4-2)10-11-17(18)20(26)24(22)13-15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3