methyl 4-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C22H22N2O3S/c1-27-21(26)16-12-10-15(11-13-16)14-28-22-23-19-9-5-4-8-18(19)20(25)24(22)17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3