(5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C28H34N2O3S MolecularWeight: 478.64616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4C)C)C(C)C

InChI

InChI=1S/C28H34N2O3S/c1-17(2)21-14-13-18(3)15-25(21)33-26(31)16-34-28-29-23-11-7-6-10-22(23)27(32)30(28)24-12-8-9-19(4)20(24)5/h6-12,17-18,21,25H,13-16H2,1-5H3