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

Systemtic Name: ethyl 6-bromanyl-1-methyl-4-(morpholin-4-ylmethyl)-5-oxidanyl-2-(1-phenylethylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-4-(morpholinomethyl)-2-(1-phenylethylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-4-(4-morpholinylmethyl)-2-[(1-phenylethylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-4-(morpholin-4-ylmethyl)-2-(1-phenylethylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-4-(morpholinomethyl)-2-[(1-phenylethylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C26H31BrN2O4S MolecularWeight: 547.50434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCOCC3)O)Br)C)CSC(C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCOCC3)O)Br)C)CSC(C)C4=CC=CC=C4

InChI

InChI=1S/C26H31BrN2O4S/c1-4-33-26(31)24-22(16-34-17(2)18-8-6-5-7-9-18)28(3)21-14-20(27)25(30)19(23(21)24)15-29-10-12-32-13-11-29/h5-9,14,17,30H,4,10-13,15-16H2,1-3H3