3-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]benzoic acid Openeye Name: 3-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]benzoic acid CAS Name: 3-[[[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]benzoic acid Traditional Name: 3-[(3-carbomethoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoylamino]benzoic acid Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S2/c1-23-16(22)13-11-6-3-7-12(11)25-14(13)19-17(24)18-10-5-2-4-9(8-10)15(20)21/h2,4-5,8H,3,6-7H2,1H3,(H,20,21)(H2,18,19,24)