ethyl 5-acetyloxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromanyl-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromanyl-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-2-[(1,3-benzothiazol-2-ylthio)methyl]-6-bromo-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-2-[(1,3-benzothiazol-2-ylthio)methyl]-6-bromo-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H19BrN2O4S2 MolecularWeight: 519.43126

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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=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19BrN2O4S2/c1-4-28-21(27)20-13-9-18(29-12(2)26)14(23)10-16(13)25(3)17(20)11-30-22-24-15-7-5-6-8-19(15)31-22/h5-10H,4,11H2,1-3H3