3-[[2,6-bis(chloranyl)pyridin-3-yl]carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[2,6-bis(chloranyl)pyridin-3-yl]carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,6-dichloropyridine-3-carbonyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,6-dichloro-3-pyridinyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,6-dichloropyridine-3-carbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,6-dichloronicotinoyl)-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C20H16Cl2N2O3S MolecularWeight: 435.32364

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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=C(N=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H16Cl2N2O3S/c1-11(2)24(19(25)13-8-9-16(21)23-18(13)22)14-10-15(28-17(14)20(26)27)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,26,27)