ethyl 6-bromanyl-1-cyclopropyl-4-(dimethylaminomethyl)-5-oxidanyl-2-(1-phenylethylsulfinylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-4-(dimethylaminomethyl)-5-oxidanyl-2-(1-phenylethylsulfinylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-(1-phenylethylsulfinylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-(1-phenylethylsulfinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-(1-phenylethylsulfinylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-4-(dimethylaminomethyl)-5-hydroxy-2-(1-phenylethylsulfinylmethyl)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)CN(C)C)O)Br)C3CC3)CS(=O)C(C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3CC3)CS(=O)C(C)C4=CC=CC=C4

InChI

InChI=1S/C26H31BrN2O4S/c1-5-33-26(31)24-22(15-34(32)16(2)17-9-7-6-8-10-17)29(18-11-12-18)21-13-20(27)25(30)19(23(21)24)14-28(3)4/h6-10,13,16,18,30H,5,11-12,14-15H2,1-4H3