tert-butyl 3-(ethanoylsulfanylmethyl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-(ethanoylsulfanylmethyl)indole-1-carboxylate Openeye Name: tert-butyl 3-(acetylsulfanylmethyl)indole-1-carboxylate CAS Name: 3-[(acetylthio)methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(acetylsulfanylmethyl)indole-1-carboxylate Traditional Name: 3-[(acetylthio)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H19NO3S/c1-11(18)21-10-12-9-17(15(19)20-16(2,3)4)14-8-6-5-7-13(12)14/h5-9H,10H2,1-4H3