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

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-2-(1-phenylpropylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-2-(1-phenylpropylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-5-hydroxy-4-[(4-methyl-1-piperazinyl)methyl]-2-[(1-phenylpropylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-2-(1-phenylpropylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-5-hydroxy-4-[(4-methylpiperazino)methyl]-2-[(1-phenylpropylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C30H38BrN3O3S MolecularWeight: 600.61002

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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)CN5CCN(CC5)C)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)SCC2=C(C3=C(C(=C(C=C3N2C4CC4)Br)O)CN5CCN(CC5)C)C(=O)OCC

InChI

InChI=1S/C30H38BrN3O3S/c1-4-26(20-9-7-6-8-10-20)38-19-25-28(30(36)37-5-2)27-22(18-33-15-13-32(3)14-16-33)29(35)23(31)17-24(27)34(25)21-11-12-21/h6-10,17,21,26,35H,4-5,11-16,18-19H2,1-3H3