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ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name:ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
Openeye Name:ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
CAS Name:5-acetyloxy-6-bromo-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester
IUPAC Name:ethyl 5-acetyloxy-6-bromo-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
Traditional Name:5-acetoxy-6-bromo-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester
Formula: C21H20BrNO4S
MolecularWeight: 462.3568
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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=CC=CC=C3


Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=CC=CC=C3


InChI

InChI=1S/C21H20BrNO4S/c1-4-26-21(25)20-15-10-19(27-13(2)24)16(22)11-17(15)23(3)18(20)12-28-14-8-6-5-7-9-14/h5-11H,4,12H2,1-3H3


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