ethyl 5-[3-[bis(2-hydroxyethyl)amino]-2-oxidanyl-propoxy]-6-bromanyl-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-[3-[bis(2-hydroxyethyl)amino]-2-oxidanyl-propoxy]-6-bromanyl-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-[3-[bis(2-hydroxyethyl)amino]-2-hydroxy-propoxy]-6-bromo-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-6-bromo-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-6-bromo-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 5-[3-[bis(2-hydroxyethyl)amino]-2-hydroxy-propoxy]-6-bromo-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C26H33BrN2O6S MolecularWeight: 581.51902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC(CN(CCO)CCO)O)Br)C)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC(CN(CCO)CCO)O)Br)C)CSC3=CC=CC=C3

InChI

InChI=1S/C26H33BrN2O6S/c1-3-34-26(33)25-20-13-24(35-16-18(32)15-29(9-11-30)10-12-31)21(27)14-22(20)28(2)23(25)17-36-19-7-5-4-6-8-19/h4-8,13-14,18,30-32H,3,9-12,15-17H2,1-2H3