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

Systemtic Name: 4-[[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(3-carbomethoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoylamino]methyl]benzoic acid Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S2/c1-24-17(23)14-12-3-2-4-13(12)26-15(14)20-18(25)19-9-10-5-7-11(8-6-10)16(21)22/h5-8H,2-4,9H2,1H3,(H,21,22)(H2,19,20,25)