1-[(5-chloranyl-2-methoxy-phenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(5-ethyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(5-ethyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(5-ethyl-2-thienyl)methyl]proline Formula: C19H22ClNO3S MolecularWeight: 379.90088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCC3C(=O)O

InChI

InChI=1S/C19H22ClNO3S/c1-3-13-7-9-17(25-13)18(21-10-4-5-15(21)19(22)23)14-11-12(20)6-8-16(14)24-2/h6-9,11,15,18H,3-5,10H2,1-2H3,(H,22,23)