ethyl 2-(pyridin-3-ylcarbonylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(pyridin-3-ylcarbonylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(pyridine-3-carbonylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[[oxo(3-pyridinyl)methyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(pyridine-3-carbonylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(nicotinoylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O3S2 MolecularWeight: 403.51834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H21N3O3S2/c1-2-25-18(24)15-13-8-4-3-5-9-14(13)27-17(15)22-19(26)21-16(23)12-7-6-10-20-11-12/h6-7,10-11H,2-5,8-9H2,1H3,(H2,21,22,23,26)