ethyl 6-bromanyl-4-(imidazol-1-ylmethyl)-1-methyl-2-[(4-nitrophenyl)sulfanylmethyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(imidazol-1-ylmethyl)-1-methyl-2-[(4-nitrophenyl)sulfanylmethyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-2-[(4-nitrophenyl)sulfanylmethyl]indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-4-(1-imidazolylmethyl)-1-methyl-2-[[(4-nitrophenyl)thio]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-2-[(4-nitrophenyl)sulfanylmethyl]indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-2-[[(4-nitrophenyl)thio]methyl]indole-3-carboxylic acid ethyl ester Formula: C23H21BrN4O5S MolecularWeight: 545.40564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3)O)Br)C)CSC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3)O)Br)C)CSC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21BrN4O5S/c1-3-33-23(30)21-19(12-34-15-6-4-14(5-7-15)28(31)32)26(2)18-10-17(24)22(29)16(20(18)21)11-27-9-8-25-13-27/h4-10,13,29H,3,11-12H2,1-2H3