methyl 3-[(4-chlorophenyl)methyl]-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(4-chlorophenyl)methyl]-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(4-chlorophenyl)methyl]-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(4-chlorophenyl)methyl]-2-[(2-ethoxy-2-oxoethyl)thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chlorophenyl)methyl]-2-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(4-chlorobenzyl)-2-[(2-ethoxy-2-keto-ethyl)thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5S/c1-3-29-18(25)12-30-21-23-17-10-14(20(27)28-2)6-9-16(17)19(26)24(21)11-13-4-7-15(22)8-5-13/h4-10H,3,11-12H2,1-2H3