ethyl 5-acetyloxy-1-methyl-3-propan-2-ylsulfanyl-indole-2-carboxylate

Systemtic Name: ethyl 5-acetyloxy-1-methyl-3-propan-2-ylsulfanyl-indole-2-carboxylate Openeye Name: ethyl 5-acetoxy-3-isopropylsulfanyl-1-methyl-indole-2-carboxylate CAS Name: 5-acetyloxy-1-methyl-3-(propan-2-ylthio)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-1-methyl-3-propan-2-ylsulfanylindole-2-carboxylate Traditional Name: 5-acetoxy-3-(isopropylthio)-1-methyl-indole-2-carboxylic acid ethyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)OC(=O)C)SC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)OC(=O)C)SC(C)C

InChI

InChI=1S/C17H21NO4S/c1-6-21-17(20)15-16(23-10(2)3)13-9-12(22-11(4)19)7-8-14(13)18(15)5/h7-10H,6H2,1-5H3