2-[5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrol-3-yl]-2-oxo-acetic acid CAS Name: 2-[5-[(3,5-dichlorophenyl)thio]-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]-2-oxoacetic acid IUPAC Name: 2-[5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]-2-oxoacetic acid Traditional Name: 2-[5-[(3,5-dichlorophenyl)thio]-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrol-3-yl]-2-keto-acetic acid Formula: C22H20Cl2N2O3S MolecularWeight: 463.3768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl)C(C)C)C(=O)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl)C(C)C)C(=O)C(=O)O

InChI

InChI=1S/C22H20Cl2N2O3S/c1-12(2)18-19(20(27)22(28)29)13(3)26(11-14-4-6-25-7-5-14)21(18)30-17-9-15(23)8-16(24)10-17/h4-10,12H,11H2,1-3H3,(H,28,29)