methyl 4-[(2,6-dimethyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]benzoate

Systemtic Name: methyl 4-[(2,6-dimethyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]benzoate Openeye Name: methyl 4-[(2,6-dimethyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoate CAS Name: 4-[(2,6-dimethyl-4-oxo-1H-quinazolin-5-yl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,6-dimethyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoate Traditional Name: 4-[(4-keto-2,6-dimethyl-1H-quinazolin-5-yl)thio]benzoic acid methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=NC2=O)C)SC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=NC2=O)C)SC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H16N2O3S/c1-10-4-9-14-15(17(21)20-11(2)19-14)16(10)24-13-7-5-12(6-8-13)18(22)23-3/h4-9H,1-3H3,(H,19,20,21)