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

Systemtic Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-3-[2-(1-cyclohexenyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]-3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C25H25ClN2O3S MolecularWeight: 468.9956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CCC4=CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CCC4=CCCCC4

InChI

InChI=1S/C25H25ClN2O3S/c1-31-24(30)19-9-12-21-22(15-19)27-25(32-16-18-7-10-20(26)11-8-18)28(23(21)29)14-13-17-5-3-2-4-6-17/h5,7-12,15H,2-4,6,13-14,16H2,1H3