ethyl 6-bromanyl-1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-4-[(4-methyl-1-piperazinyl)methyl]-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-4-[(4-methylpiperazino)methyl]-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H30BrN3O3S MolecularWeight: 532.493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCN(CC3)C)O)Br)C)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCN(CC3)C)O)Br)C)CSC4=CC=CC=C4

InChI

InChI=1S/C25H30BrN3O3S/c1-4-32-25(31)23-21(16-33-17-8-6-5-7-9-17)28(3)20-14-19(26)24(30)18(22(20)23)15-29-12-10-27(2)11-13-29/h5-9,14,30H,4,10-13,15-16H2,1-3H3