3-chloranyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]benzothiophene-2-carboxamide Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)N4CCCC4

InChI

InChI=1S/C22H23ClN2O2S/c1-27-16-8-6-7-15(13-16)18(25-11-4-5-12-25)14-24-22(26)21-20(23)17-9-2-3-10-19(17)28-21/h2-3,6-10,13,18H,4-5,11-12,14H2,1H3,(H,24,26)