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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4S/c1-17(2)21-13-12-18(3)14-24(21)33-25(30)16-34-27-28-23-11-6-5-10-22(23)26(31)29(27)19-8-7-9-20(15-19)32-4/h5-11,15,17-18,21,24H,12-14,16H2,1-4H3