ethyl 2-[(2-oxidanylidenechromen-3-yl)carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-oxidanylidenechromen-3-yl)carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-oxochromene-3-carbonyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-oxochromene-3-carbonyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-ketochromene-3-carbonyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H18N2O5S2 MolecularWeight: 442.50802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H18N2O5S2/c1-2-27-20(26)16-12-7-5-9-15(12)30-18(16)23-21(29)22-17(24)13-10-11-6-3-4-8-14(11)28-19(13)25/h3-4,6,8,10H,2,5,7,9H2,1H3,(H2,22,23,24,29)