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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(2-methoxyethanoyl)-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(2-methoxy-1-oxoethyl)-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(2-thenoyl)proline Formula: C27H24ClNO7S MolecularWeight: 541.99996

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)COC)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)COC)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C27H24ClNO7S/c1-27(26(32)33)23(15-5-8-17(28)9-6-15)22(25(31)20-4-3-11-37-20)24(29(27)21(30)13-34-2)16-7-10-18-19(12-16)36-14-35-18/h3-12,22-24H,13-14H2,1-2H3,(H,32,33)