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

Systemtic Name: methyl 2-[2-(2-methylphenyl)ethanoylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C19H20N2O3S2/c1-11-6-3-4-7-12(11)10-15(22)20-19(25)21-17-16(18(23)24-2)13-8-5-9-14(13)26-17/h3-4,6-7H,5,8-10H2,1-2H3,(H2,20,21,22,25)