methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[(2,4-dimethylphenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(2,4-dimethylbenzyl)thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CCCCC4)C

InChI

InChI=1S/C27H30N2O3S/c1-18-9-10-22(19(2)15-18)17-33-27-28-24-16-21(26(31)32-3)11-12-23(24)25(30)29(27)14-13-20-7-5-4-6-8-20/h7,9-12,15-16H,4-6,8,13-14,17H2,1-3H3