4-[[(3-ethoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[(3-ethoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(3-ethoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[(3-ethoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3-ethoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(3-carbethoxy-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)thiocarbamoylamino]methyl]benzoic acid Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H26N2O4S2/c1-2-28-21(27)18-16-7-5-3-4-6-8-17(16)30-19(18)24-22(29)23-13-14-9-11-15(12-10-14)20(25)26/h9-12H,2-8,13H2,1H3,(H,25,26)(H2,23,24,29)