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

Systemtic Name: methyl 2-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(5-chloro-2-hydroxy-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-hydroxyanilino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-hydroxyphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-hydroxy-phenyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C16H15ClN2O3S2 MolecularWeight: 382.8849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O3S2/c1-22-15(21)13-9-3-2-4-12(9)24-14(13)19-16(23)18-10-7-8(17)5-6-11(10)20/h5-7,20H,2-4H2,1H3,(H2,18,19,23)