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

Systemtic Name: 5-[(4-chloranyl-1-propan-2-yl-pyrrol-2-yl)carbonylamino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[(4-chloro-1-isopropyl-pyrrole-2-carbonyl)amino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[(4-chloro-1-propan-2-yl-2-pyrrolyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[(4-chloro-1-isopropyl-pyrrole-2-carbonyl)amino]-3-methyl-2-thenoic acid Formula: C14H15ClN2O3S MolecularWeight: 326.7985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC(=CN2C(C)C)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC(=CN2C(C)C)Cl)C(=O)O

InChI

InChI=1S/C14H15ClN2O3S/c1-7(2)17-6-9(15)5-10(17)13(18)16-11-4-8(3)12(21-11)14(19)20/h4-7H,1-3H3,(H,16,18)(H,19,20)