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

Systemtic Name: 3-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]carbamothioylamino]benzoic acid Openeye Name: 3-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thienyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[3,5-bis(methoxycarbonyl)-4-methyl-2-thiophenyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]carbamothioylamino]benzoic acid Traditional Name: 3-[(3,5-dicarbomethoxy-4-methyl-2-thienyl)thiocarbamoylamino]benzoic acid Formula: C17H16N2O6S2 MolecularWeight: 408.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC(=C2)C(=O)O)C(=O)OC

InChI

InChI=1S/C17H16N2O6S2/c1-8-11(15(22)24-2)13(27-12(8)16(23)25-3)19-17(26)18-10-6-4-5-9(7-10)14(20)21/h4-7H,1-3H3,(H,20,21)(H2,18,19,26)