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

Systemtic Name: ethyl 4-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-2-23-17(22)13-9-7-12(8-10-13)11-24-18-19-15-6-4-3-5-14(15)16(21)20-18/h7-10H,2-6,11H2,1H3,(H,19,20,21)