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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-[(4-nitrophenyl)sulfanylmethyl]indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-1-methyl-2-[(4-nitrophenyl)sulfanylmethyl]indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-1-methyl-2-[[(4-nitrophenyl)thio]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-methyl-2-[(4-nitrophenyl)sulfanylmethyl]indole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-1-methyl-2-[[(4-nitrophenyl)thio]methyl]indole-3-carboxylic acid ethyl ester Formula: C21H19BrN2O6S MolecularWeight: 507.35436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19BrN2O6S/c1-4-29-21(26)20-15-9-19(30-12(2)25)16(22)10-17(15)23(3)18(20)11-31-14-7-5-13(6-8-14)24(27)28/h5-10H,4,11H2,1-3H3