5-[[4,5-bis(chloranyl)-1-methyl-pyrrol-2-yl]carbonylamino]-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[[4,5-bis(chloranyl)-1-methyl-pyrrol-2-yl]carbonylamino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)amino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[(4,5-dichloro-1-methyl-2-pyrrolyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)amino]-3-methyl-2-thenoic acid Formula: C12H10Cl2N2O3S MolecularWeight: 333.1904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC(=C(N2C)Cl)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC(=C(N2C)Cl)Cl)C(=O)O

InChI

InChI=1S/C12H10Cl2N2O3S/c1-5-3-8(20-9(5)12(18)19)15-11(17)7-4-6(13)10(14)16(7)2/h3-4H,1-2H3,(H,15,17)(H,18,19)