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

Systemtic Name: 1-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)proline Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-9-4-5-12-10(7-9)8-13(20-12)14(17)16-6-2-3-11(16)15(18)19/h8-9,11H,2-7H2,1H3,(H,18,19)