1-[4-[2-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)ethanoylamino]piperidin-4-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[2-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)ethanoylamino]piperidin-4-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[[2-(5-chloro-3-methyl-benzothiophen-2-yl)acetyl]amino]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-[[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)acetyl]amino]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[[2-(5-chloro-3-methyl-benzothiophen-2-yl)acetyl]amino]isonipecotoyl]proline Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)CC(=O)NC3(CCNCC3)C(=O)N4CCCC4C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)CC(=O)NC3(CCNCC3)C(=O)N4CCCC4C(=O)O

InChI

InChI=1S/C22H26ClN3O4S/c1-13-15-11-14(23)4-5-17(15)31-18(13)12-19(27)25-22(6-8-24-9-7-22)21(30)26-10-2-3-16(26)20(28)29/h4-5,11,16,24H,2-3,6-10,12H2,1H3,(H,25,27)(H,28,29)