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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[3-(2,5-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(2,5-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(2,5-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C28H34N2O5S MolecularWeight: 510.64496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)OC)OC)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)OC)OC)C(C)C

InChI

InChI=1S/C28H34N2O5S/c1-17(2)20-12-10-18(3)14-25(20)35-26(31)16-36-28-29-22-9-7-6-8-21(22)27(32)30(28)23-15-19(33-4)11-13-24(23)34-5/h6-9,11,13,15,17-18,20,25H,10,12,14,16H2,1-5H3