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

Systemtic Name: methyl 2-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H21ClN2O4S2 MolecularWeight: 452.97474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O4S2/c1-26-19(25)17-14-4-2-5-15(14)29-18(17)23-20(28)22-16(24)6-3-11-27-13-9-7-12(21)8-10-13/h7-10H,2-6,11H2,1H3,(H2,22,23,24,28)