ethyl 4-[[6-bromanyl-4-(dimethylaminomethyl)-1,3-dimethyl-5-oxidanyl-indol-2-yl]methylsulfanyl]benzoate

Systemtic Name: ethyl 4-[[6-bromanyl-4-(dimethylaminomethyl)-1,3-dimethyl-5-oxidanyl-indol-2-yl]methylsulfanyl]benzoate Openeye Name: ethyl 4-[[6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1,3-dimethyl-indol-2-yl]methylsulfanyl]benzoate CAS Name: 4-[[6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1,3-dimethyl-2-indolyl]methylthio]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1,3-dimethylindol-2-yl]methylsulfanyl]benzoate Traditional Name: 4-[[6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1,3-dimethyl-indol-2-yl]methylthio]benzoic acid ethyl ester Formula: C23H27BrN2O3S MolecularWeight: 491.44108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)SCC2=C(C3=C(C(=C(C=C3N2C)Br)O)CN(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)SCC2=C(C3=C(C(=C(C=C3N2C)Br)O)CN(C)C)C

InChI

InChI=1S/C23H27BrN2O3S/c1-6-29-23(28)15-7-9-16(10-8-15)30-13-20-14(2)21-17(12-25(3)4)22(27)18(24)11-19(21)26(20)5/h7-11,27H,6,12-13H2,1-5H3