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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(2-methoxyethanoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(2-methoxyacetyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(2-methoxy-1-oxoethyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(2-methoxyacetyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(2-methoxyacetyl)-4-(2-thenoyl)proline Formula: C30H31NO7S MolecularWeight: 549.63464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)COC)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)COC)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

InChI

InChI=1S/C30H31NO7S/c1-30(2,3)19-10-7-17(8-11-19)24-25(28(33)22-6-5-13-39-22)26(18-9-12-20-21(14-18)38-16-37-20)31(23(32)15-36-4)27(24)29(34)35/h5-14,24-27H,15-16H2,1-4H3,(H,34,35)