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

Systemtic Name: 4-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]sulfonylamino]benzoic acid Openeye Name: 4-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thienyl]sulfonylamino]benzoic acid CAS Name: 4-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thiophenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylamino]benzoic acid Traditional Name: 4-[(3,5-dicarbomethoxy-4-methyl-2-thienyl)sulfonylamino]benzoic acid Formula: C16H15NO8S2 MolecularWeight: 413.4222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO8S2/c1-8-11(14(20)24-2)16(26-12(8)15(21)25-3)27(22,23)17-10-6-4-9(5-7-10)13(18)19/h4-7,17H,1-3H3,(H,18,19)