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

Systemtic Name: methyl 2-[[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[(5-chloro-2-hydroxy-benzoyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(5-chloro-2-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(5-chloro-2-hydroxybenzoyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[(5-chloro-2-hydroxy-benzoyl)amino]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H16ClN3O4S2 MolecularWeight: 425.90964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O4S2/c1-25-16(24)13-9-3-2-4-12(9)27-15(13)19-17(26)21-20-14(23)10-7-8(18)5-6-11(10)22/h5-7,22H,2-4H2,1H3,(H,20,23)(H2,19,21,26)