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

Systemtic Name: ethyl 5-acetyloxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-1-phenyl-indole-3-carboxylate CAS Name: 5-acetyloxy-2-[(1,3-benzothiazol-2-ylthio)methyl]-6-bromo-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-1-phenylindole-3-carboxylate Traditional Name: 5-acetoxy-2-[(1,3-benzothiazol-2-ylthio)methyl]-6-bromo-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C27H21BrN2O4S2 MolecularWeight: 581.50064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H21BrN2O4S2/c1-3-33-26(32)25-18-13-23(34-16(2)31)19(28)14-21(18)30(17-9-5-4-6-10-17)22(25)15-35-27-29-20-11-7-8-12-24(20)36-27/h4-14H,3,15H2,1-2H3