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

Systemtic Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(3,4-dichlorobenzyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H16Cl2N2O2S2 MolecularWeight: 415.35714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H16Cl2N2O2S2/c1-23-16(22)14-10-3-2-4-13(10)25-15(14)21-17(24)20-8-9-5-6-11(18)12(19)7-9/h5-7H,2-4,8H2,1H3,(H2,20,21,24)