methyl 2-(2-methoxy-2-oxidanylidene-ethyl)-4-sulfanylidene-1,3-dihydroquinazoline-2-carboxylate

Systemtic Name: methyl 2-(2-methoxy-2-oxidanylidene-ethyl)-4-sulfanylidene-1,3-dihydroquinazoline-2-carboxylate Openeye Name: methyl 2-(2-methoxy-2-oxo-ethyl)-4-thioxo-1,3-dihydroquinazoline-2-carboxylate CAS Name: 2-(2-methoxy-2-oxoethyl)-4-sulfanylidene-1,3-dihydroquinazoline-2-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-methoxy-2-oxoethyl)-4-sulfanylidene-1,3-dihydroquinazoline-2-carboxylate Traditional Name: 2-(2-keto-2-methoxy-ethyl)-4-thioxo-1,3-dihydroquinazoline-2-carboxylic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(NC2=CC=CC=C2C(=S)N1)C(=O)OC

Isomeric SMILES

COC(=O)CC1(NC2=CC=CC=C2C(=S)N1)C(=O)OC

InChI

InChI=1S/C13H14N2O4S/c1-18-10(16)7-13(12(17)19-2)14-9-6-4-3-5-8(9)11(20)15-13/h3-6,14H,7H2,1-2H3,(H,15,20)