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

Systemtic Name: ethyl 5-acetyloxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromanyl-1H-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-1H-indole-3-carboxylate CAS Name: 5-acetyloxy-2-[(1,3-benzothiazol-2-ylthio)methyl]-6-bromo-1H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-1H-indole-3-carboxylate Traditional Name: 5-acetoxy-2-[(1,3-benzothiazol-2-ylthio)methyl]-6-bromo-1H-indole-3-carboxylic acid ethyl ester Formula: C21H17BrN2O4S2 MolecularWeight: 505.40468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(=C(C=C21)OC(=O)C)Br)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(=C(C=C21)OC(=O)C)Br)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17BrN2O4S2/c1-3-27-20(26)19-12-8-17(28-11(2)25)13(22)9-15(12)23-16(19)10-29-21-24-14-6-4-5-7-18(14)30-21/h4-9,23H,3,10H2,1-2H3