diethyl 3-methyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-oxo-1H-quinazolin-2-yl)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[(4-keto-1H-quinazoline-2-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H19N3O5S2/c1-4-27-19(25)13-10(3)14(20(26)28-5-2)30-18(13)23-17(29)15-21-12-9-7-6-8-11(12)16(24)22-15/h6-9H,4-5H2,1-3H3,(H,23,29)(H,21,22,24)