1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)proline Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)N3CCCC3C(=O)O

InChI

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