4-[5-carboxy-4-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

Systemtic Name: 4-[5-carboxy-4-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid Openeye Name: 4-[5-carboxy-4-[(2,4-dichlorobenzoyl)-isopropyl-amino]-2-thienyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid CAS Name: 4-[5-carboxy-4-[[(2,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]-2-thiophenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid IUPAC Name: 4-[5-carboxy-4-[(2,4-dichlorobenzoyl)-propan-2-ylamino]thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid Traditional Name: 4-[5-carboxy-4-[(2,4-dichlorobenzoyl)-isopropyl-amino]-2-thienyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid Formula: C21H20Cl2N2O5S MolecularWeight: 483.3649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=CCN(CC2)C(=O)O)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CCN(CC2)C(=O)O)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O5S/c1-11(2)25(19(26)14-4-3-13(22)9-15(14)23)16-10-17(31-18(16)20(27)28)12-5-7-24(8-6-12)21(29)30/h3-5,9-11H,6-8H2,1-2H3,(H,27,28)(H,29,30)