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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(3-hydroxypropyl)-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-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C(C)C

InChI

InChI=1S/C23H32N2O4S/c1-15(2)17-10-9-16(3)13-20(17)29-21(27)14-30-23-24-19-8-5-4-7-18(19)22(28)25(23)11-6-12-26/h4-5,7-8,15-17,20,26H,6,9-14H2,1-3H3