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

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromanyl-5-methoxy-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-phenyl-indole-3-carboxylate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-6-bromo-5-methoxy-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-6-bromo-5-methoxy-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C26H21BrN2O3S2 MolecularWeight: 553.49054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21BrN2O3S2/c1-3-32-25(30)24-17-13-22(31-2)18(27)14-20(17)29(16-9-5-4-6-10-16)21(24)15-33-26-28-19-11-7-8-12-23(19)34-26/h4-14H,3,15H2,1-2H3