propan-2-yl 4-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: propan-2-yl 4-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]methyl]benzoic acid isopropyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)CCCC3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)CCCC3

InChI

InChI=1S/C19H22N2O3S/c1-12(2)24-18(23)14-9-7-13(8-10-14)11-25-19-20-16-6-4-3-5-15(16)17(22)21-19/h7-10,12H,3-6,11H2,1-2H3,(H,20,21,22)