ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate; phosphoric acid

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate; phosphoric acid Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate; phosphoric acid CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester; phosphoric acid IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate; phosphoric acid Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester; phosphoric acid Formula: C22H28BrN2O7PS MolecularWeight: 575.409681

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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)C)CSC3=CC=CC=C3.OP(=O)(O)O

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3.OP(=O)(O)O

InChI

InChI=1S/C22H25BrN2O3S.H3O4P/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3;1-5(2,3)4/h6-11,26H,5,12-13H2,1-4H3;(H3,1,2,3,4)