methyl 2-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloro-4,6-dimethyl-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4,6-dimethylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H19ClN2O2S2 MolecularWeight: 394.93866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)C

InChI

InChI=1S/C18H19ClN2O2S2/c1-9-7-10(2)15(12(19)8-9)20-18(24)21-16-14(17(22)23-3)11-5-4-6-13(11)25-16/h7-8H,4-6H2,1-3H3,(H2,20,21,24)