methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-[(4-chlorophenyl)methyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-(4-chlorobenzyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C28H27ClN2O3S MolecularWeight: 507.04358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN2O3S/c1-28(2,3)21-10-5-19(6-11-21)17-35-27-30-24-15-20(26(33)34-4)9-14-23(24)25(32)31(27)16-18-7-12-22(29)13-8-18/h5-15H,16-17H2,1-4H3