6-bromanyl-4-[1-(dimethylamino)ethyl]-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid

Systemtic Name: 6-bromanyl-4-[1-(dimethylamino)ethyl]-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid Openeye Name: 6-bromo-4-[1-(dimethylamino)ethyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid CAS Name: 6-bromo-4-[1-(dimethylamino)ethyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid IUPAC Name: 6-bromo-4-[1-(dimethylamino)ethyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylic acid Traditional Name: 6-bromo-4-[1-(dimethylamino)ethyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=CC(=C1O)Br)N(C(=C2C(=O)O)CSC3=CC=CC=C3)C)N(C)C

Isomeric SMILES

CC(C1=C2C(=CC(=C1O)Br)N(C(=C2C(=O)O)CSC3=CC=CC=C3)C)N(C)C

InChI

InChI=1S/C21H23BrN2O3S/c1-12(23(2)3)17-18-15(10-14(22)20(17)25)24(4)16(19(18)21(26)27)11-28-13-8-6-5-7-9-13/h5-10,12,25H,11H2,1-4H3,(H,26,27)