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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-(naphthalen-1-ylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-1-methyl-2-(1-naphthylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-1-methyl-2-[(1-naphthalenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-methyl-2-(naphthalen-1-ylsulfanylmethyl)indole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-1-methyl-2-[(1-naphthylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H22BrNO4S MolecularWeight: 512.41548

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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=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H22BrNO4S/c1-4-30-25(29)24-18-12-22(31-15(2)28)19(26)13-20(18)27(3)21(24)14-32-23-11-7-9-16-8-5-6-10-17(16)23/h5-13H,4,14H2,1-3H3