ethyl 6-bromanyl-5-[3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-[3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-[3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C27H30BrN3O4S MolecularWeight: 572.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC(CN3C(=CC(=N3)C)C)O)Br)C)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC(CN3C(=CC(=N3)C)C)O)Br)C)CSC4=CC=CC=C4

InChI

InChI=1S/C27H30BrN3O4S/c1-5-34-27(33)26-21-12-25(35-15-19(32)14-31-18(3)11-17(2)29-31)22(28)13-23(21)30(4)24(26)16-36-20-9-7-6-8-10-20/h6-13,19,32H,5,14-16H2,1-4H3