ethyl 2-[2-(2-methylphenyl)ethanoylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-methylphenyl)ethanoylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(o-tolyl)acetyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methylphenyl)acetyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(o-tolyl)acetyl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C20H22N2O3S2/c1-3-25-19(24)17-14-9-6-10-15(14)27-18(17)22-20(26)21-16(23)11-13-8-5-4-7-12(13)2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H2,21,22,23,26)