(5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C)C(C)C

InChI

InChI=1S/C21H28N2O3S/c1-13(2)15-10-9-14(3)11-18(15)26-19(24)12-27-21-22-17-8-6-5-7-16(17)20(25)23(21)4/h5-8,13-15,18H,9-12H2,1-4H3