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

Systemtic Name: methyl 3-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C20H18N2O3S/c1-25-19(24)14-6-4-5-13(11-14)12-26-20-21-17-8-3-2-7-16(17)18(23)22(20)15-9-10-15/h2-8,11,15H,9-10,12H2,1H3