3-[(6-chloranylpyridin-3-yl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(6-chloranylpyridin-3-yl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(6-chloropyridine-3-carbonyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(6-chloro-3-pyridinyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(6-chloropyridine-3-carbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(6-chloronicotinoyl)-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-12(2)23(19(24)14-8-9-17(21)22-11-14)15-10-16(27-18(15)20(25)26)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,25,26)