5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(2-methoxyethanoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(2-methoxyethanoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(2-methoxyacetyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(2-methoxy-1-oxoethyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(2-methoxyacetyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(2-methoxyacetyl)-4-(2-thenoyl)proline Formula: C26H22ClNO7S MolecularWeight: 527.97338

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(C(C(C1C(=O)O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COCC(=O)N1C(C(C(C1C(=O)O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H22ClNO7S/c1-33-12-20(29)28-23(15-6-9-17-18(11-15)35-13-34-17)22(25(30)19-3-2-10-36-19)21(24(28)26(31)32)14-4-7-16(27)8-5-14/h2-11,21-24H,12-13H2,1H3,(H,31,32)