ethyl 6-bromanyl-1-cyclopropyl-4-(morpholin-4-ylmethyl)-5-oxidanyl-2-(1-phenylpropylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-4-(morpholin-4-ylmethyl)-5-oxidanyl-2-(1-phenylpropylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-4-(morpholinomethyl)-2-(1-phenylpropylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-5-hydroxy-4-(4-morpholinylmethyl)-2-[(1-phenylpropylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-4-(morpholin-4-ylmethyl)-2-(1-phenylpropylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-5-hydroxy-4-(morpholinomethyl)-2-[(1-phenylpropylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C29H35BrN2O4S MolecularWeight: 587.5682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)SCC2=C(C3=C(C(=C(C=C3N2C4CC4)Br)O)CN5CCOCC5)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)SCC2=C(C3=C(C(=C(C=C3N2C4CC4)Br)O)CN5CCOCC5)C(=O)OCC

InChI

InChI=1S/C29H35BrN2O4S/c1-3-25(19-8-6-5-7-9-19)37-18-24-27(29(34)36-4-2)26-21(17-31-12-14-35-15-13-31)28(33)22(30)16-23(26)32(24)20-10-11-20/h5-9,16,20,25,33H,3-4,10-15,17-18H2,1-2H3