methyl 2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-keto-quinazolin-2-yl]thio]acetic acid methyl ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC

InChI

InChI=1S/C19H24N2O3S/c1-12-7-6-10-16(13(12)2)21-18(23)14-8-4-5-9-15(14)20-19(21)25-11-17(22)24-3/h4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3/t12-,13+,16+/m0/s1