ethyl 4-(2-azanylethylsulfanylmethyl)-6-bromanyl-1-methyl-5-oxidanyl-2-[(2-pyridin-2-ylphenyl)sulfinylmethyl]indole-3-carboxylate

Systemtic Name: ethyl 4-(2-azanylethylsulfanylmethyl)-6-bromanyl-1-methyl-5-oxidanyl-2-[(2-pyridin-2-ylphenyl)sulfinylmethyl]indole-3-carboxylate Openeye Name: ethyl 4-(2-aminoethylsulfanylmethyl)-6-bromo-5-hydroxy-1-methyl-2-[[2-(2-pyridyl)phenyl]sulfinylmethyl]indole-3-carboxylate CAS Name: 4-[(2-aminoethylthio)methyl]-6-bromo-5-hydroxy-1-methyl-2-[[2-(2-pyridinyl)phenyl]sulfinylmethyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-aminoethylsulfanylmethyl)-6-bromo-5-hydroxy-1-methyl-2-[(2-pyridin-2-ylphenyl)sulfinylmethyl]indole-3-carboxylate Traditional Name: 4-[(2-aminoethylthio)methyl]-6-bromo-5-hydroxy-1-methyl-2-[[2-(2-pyridyl)phenyl]sulfinylmethyl]indole-3-carboxylic acid ethyl ester Formula: C27H28BrN3O4S2 MolecularWeight: 602.56292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CSCCN)O)Br)C)CS(=O)C3=CC=CC=C3C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CSCCN)O)Br)C)CS(=O)C3=CC=CC=C3C4=CC=CC=N4

InChI

InChI=1S/C27H28BrN3O4S2/c1-3-35-27(33)25-22(16-37(34)23-10-5-4-8-17(23)20-9-6-7-12-30-20)31(2)21-14-19(28)26(32)18(24(21)25)15-36-13-11-29/h4-10,12,14,32H,3,11,13,15-16,29H2,1-2H3