1-(1-ethylcyclopropyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylic acid

Systemtic Name: 1-(1-ethylcyclopropyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylic acid Openeye Name: 1-(1-ethylcyclopropyl)-5-hydroxy-2-(phenylsulfanylmethyl)-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylic acid CAS Name: 1-(1-ethylcyclopropyl)-5-hydroxy-2-[(phenylthio)methyl]-4-(1-pyrrolidinylmethyl)-3-indolecarboxylic acid IUPAC Name: 1-(1-ethylcyclopropyl)-5-hydroxy-2-(phenylsulfanylmethyl)-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylic acid Traditional Name: 1-(1-ethylcyclopropyl)-5-hydroxy-2-[(phenylthio)methyl]-4-(pyrrolidinomethyl)indole-3-carboxylic acid Formula: C26H30N2O3S MolecularWeight: 450.593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC1)N2C3=C(C(=C(C=C3)O)CN4CCCC4)C(=C2CSC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCC1(CC1)N2C3=C(C(=C(C=C3)O)CN4CCCC4)C(=C2CSC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H30N2O3S/c1-2-26(12-13-26)28-20-10-11-22(29)19(16-27-14-6-7-15-27)23(20)24(25(30)31)21(28)17-32-18-8-4-3-5-9-18/h3-5,8-11,29H,2,6-7,12-17H2,1H3,(H,30,31)