3-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]carbamothioylamino]benzoic acid Openeye Name: 3-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thiophenyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamothioylamino]benzoic acid Traditional Name: 3-[(3,5-dicarbethoxy-4-methyl-2-thienyl)thiocarbamoylamino]benzoic acid Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H20N2O6S2/c1-4-26-17(24)13-10(3)14(18(25)27-5-2)29-15(13)21-19(28)20-12-8-6-7-11(9-12)16(22)23/h6-9H,4-5H2,1-3H3,(H,22,23)(H2,20,21,28)