tert-butyl 3-(prop-2-enylcarbamoylsulfanylmethyl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-(prop-2-enylcarbamoylsulfanylmethyl)indole-1-carboxylate Openeye Name: tert-butyl 3-(allylcarbamoylsulfanylmethyl)indole-1-carboxylate CAS Name: 3-[[[oxo-(prop-2-enylamino)methyl]thio]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(prop-2-enylcarbamoylsulfanylmethyl)indole-1-carboxylate Traditional Name: 3-[(allylcarbamoylthio)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CSC(=O)NCC=C

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CSC(=O)NCC=C

InChI

InChI=1S/C18H22N2O3S/c1-5-10-19-16(21)24-12-13-11-20(17(22)23-18(2,3)4)15-9-7-6-8-14(13)15/h5-9,11H,1,10,12H2,2-4H3,(H,19,21)