(3S,4R)-4-(4-methoxyphenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylic acid

Systemtic Name: (3S,4R)-4-(4-methoxyphenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylic acid Openeye Name: (3S,4R)-4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid CAS Name: (3S,4R)-4-(4-methoxyphenyl)-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: (3S,4R)-4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid Traditional Name: (3S,4R)-4-(4-methoxyphenyl)-1-(2-thenoyl)pyrrolidine-3-carboxylic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CN(CC2C(=O)O)C(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CN(C[C@H]2C(=O)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H17NO4S/c1-22-12-6-4-11(5-7-12)13-9-18(10-14(13)17(20)21)16(19)15-3-2-8-23-15/h2-8,13-14H,9-10H2,1H3,(H,20,21)/t13-,14+/m0/s1