1-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)proline Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CC(CC3C(=O)O)O

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N3CC(CC3C(=O)O)O

InChI

InChI=1S/C15H19NO4S/c1-8-2-3-12-9(4-8)5-13(21-12)14(18)16-7-10(17)6-11(16)15(19)20/h5,8,10-11,17H,2-4,6-7H2,1H3,(H,19,20)