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

Systemtic Name: 4-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]carbamothioylamino]benzoate Openeye Name: 4-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thienyl]carbamothioylamino]benzoate CAS Name: 4-[[[[3,5-bis(methoxycarbonyl)-4-methyl-2-thiophenyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]carbamothioylamino]benzoate Traditional Name: 4-[(3,5-dicarbomethoxy-4-methyl-2-thienyl)thiocarbamoylamino]benzoate Formula: C17H15N2O6S2- MolecularWeight: 407.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=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)18-10-6-4-9(5-7-10)14(20)21/h4-7H,1-3H3,(H,20,21)(H2,18,19,26)/p-1