methyl 3-[(4-chlorophenyl)methyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(4-chlorophenyl)methyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-[(4-chlorophenyl)methyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(4-chlorobenzyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C27H23ClN2O5S MolecularWeight: 522.99992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H23ClN2O5S/c1-16(31)18-7-11-24(34-2)20(12-18)15-36-27-29-23-13-19(26(33)35-3)6-10-22(23)25(32)30(27)14-17-4-8-21(28)9-5-17/h4-13H,14-15H2,1-3H3