ethyl 6-bromanyl-4-[(4,5-dicyano-1H-imidazol-2-yl)methyl]-2-[(3-methoxyphenyl)sulfinylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-[(4,5-dicyano-1H-imidazol-2-yl)methyl]-2-[(3-methoxyphenyl)sulfinylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-4-[(4,5-dicyano-1H-imidazol-2-yl)methyl]-5-hydroxy-2-[(3-methoxyphenyl)sulfinylmethyl]-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-4-[(4,5-dicyano-1H-imidazol-2-yl)methyl]-5-hydroxy-2-[(3-methoxyphenyl)sulfinylmethyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-[(4,5-dicyano-1H-imidazol-2-yl)methyl]-5-hydroxy-2-[(3-methoxyphenyl)sulfinylmethyl]-1-methylindole-3-carboxylate Traditional Name: 6-bromo-4-[(4,5-dicyano-1H-imidazol-2-yl)methyl]-5-hydroxy-2-[(3-methoxyphenyl)sulfinylmethyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C26H22BrN5O5S MolecularWeight: 596.45238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CC3=NC(=C(N3)C#N)C#N)O)Br)C)CS(=O)C4=CC=CC(=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CC3=NC(=C(N3)C#N)C#N)O)Br)C)CS(=O)C4=CC=CC(=C4)OC

InChI

InChI=1S/C26H22BrN5O5S/c1-4-37-26(34)24-21(13-38(35)15-7-5-6-14(8-15)36-3)32(2)20-10-17(27)25(33)16(23(20)24)9-22-30-18(11-28)19(12-29)31-22/h5-8,10,33H,4,9,13H2,1-3H3,(H,30,31)