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

Systemtic Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CCCCC3

InChI

InChI=1S/C18H20N2O3S/c1-23-17(22)13-7-8-14-15(11-13)19-18(24)20(16(14)21)10-9-12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,19,24)