ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-(thiophen-2-ylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-(thiophen-2-ylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-(2-thienylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-2-[(thiophen-2-ylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-(thiophen-2-ylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-[(2-thienylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C17H16BrNO3S2 MolecularWeight: 426.34784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CSC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CSC3=CC=CS3

InChI

InChI=1S/C17H16BrNO3S2/c1-3-22-17(21)16-10-7-14(20)11(18)8-12(10)19(2)13(16)9-24-15-5-4-6-23-15/h4-8,20H,3,9H2,1-2H3