2-[3-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methyl-thiophen-2-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methyl-thiophen-2-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methyl-2-thienyl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[5-[dimethylamino(oxo)methyl]-3-methoxycarbonyl-4-methyl-2-thiophenyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[5-(dimethylcarbamoyl)-3-methoxycarbonyl-4-methylthiophen-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[[3-carbomethoxy-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=CC=N2)C(=O)O)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C(=CC=N2)C(=O)O)C(=O)N(C)C

InChI

InChI=1S/C17H20N4O6S/c1-9-12(17(26)27-4)14(28-13(9)15(23)20(2)3)19-11(22)6-8-21-10(16(24)25)5-7-18-21/h5,7H,6,8H2,1-4H3,(H,19,22)(H,24,25)