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

Systemtic Name: ethyl 2-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCC(C3C)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1[C@H]3CCC[C@H]([C@@H]3C)C

InChI

InChI=1S/C20H26N2O3S/c1-4-25-18(23)12-26-20-21-16-10-6-5-9-15(16)19(24)22(20)17-11-7-8-13(2)14(17)3/h5-6,9-10,13-14,17H,4,7-8,11-12H2,1-3H3/t13-,14+,17+/m1/s1