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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C18H19ClN2O2S2/c1-3-23-17(22)15-11-6-4-9-14(11)25-16(15)21-18(24)20-13-8-5-7-12(19)10(13)2/h5,7-8H,3-4,6,9H2,1-2H3,(H2,20,21,24)