ethyl 5-methyl-2-[(4-methylpyridin-2-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[(4-methylpyridin-2-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(4-methyl-2-pyridyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(4-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(4-methylpyridin-2-yl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-methyl-2-pyridyl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O2S2 MolecularWeight: 411.54034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NC=CC(=C3)C

InChI

InChI=1S/C21H21N3O2S2/c1-4-26-20(25)18-17(15-8-6-5-7-9-15)14(3)28-19(18)24-21(27)23-16-12-13(2)10-11-22-16/h5-12H,4H2,1-3H3,(H2,22,23,24,27)