4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioylamino]benzoic acid

Systemtic Name: 4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioylamino]benzoic acid Openeye Name: 4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioylamino]benzoic acid CAS Name: 4-[[[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioylamino]benzoic acid Traditional Name: 4-[(3-carbomethoxy-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoylamino]benzoic acid Formula: C19H20N2O4S2 MolecularWeight: 404.5031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H20N2O4S2/c1-25-18(24)15-13-5-3-2-4-6-14(13)27-16(15)21-19(26)20-12-9-7-11(8-10-12)17(22)23/h7-10H,2-6H2,1H3,(H,22,23)(H2,20,21,26)