ethyl 2-[(6-methylpyridin-2-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-methylpyridin-2-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(6-methyl-2-pyridyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-methylpyridin-2-yl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(6-methyl-2-pyridyl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC3=CC=CC(=N3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC3=CC=CC(=N3)C

InChI

InChI=1S/C20H19N3O2S2/c1-3-25-19(24)17-15(14-9-5-4-6-10-14)12-27-18(17)23-20(26)22-16-11-7-8-13(2)21-16/h4-12H,3H2,1-2H3,(H2,21,22,23,26)