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

Systemtic Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CCC4=CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CCC4=CCCCC4

InChI

InChI=1S/C25H25N3O5S/c1-33-24(30)19-10-11-21-22(15-19)26-25(34-16-18-8-5-9-20(14-18)28(31)32)27(23(21)29)13-12-17-6-3-2-4-7-17/h5-6,8-11,14-15H,2-4,7,12-13,16H2,1H3