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

Systemtic Name: methyl 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-sulfamoylphenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-sulfamoylbenzyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H19N3O4S3 MolecularWeight: 425.54546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S3/c1-24-16(21)14-12-3-2-4-13(12)26-15(14)20-17(25)19-9-10-5-7-11(8-6-10)27(18,22)23/h5-8H,2-4,9H2,1H3,(H2,18,22,23)(H2,19,20,25)