methyl 4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3S/c1-23-17(22)13-7-8-14-15(11-13)19-18(24)20(16(14)21)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,19,24)