tert-butyl 3-(2-cyano-3-ethylsulfanyl-3-oxidanylidene-propyl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-(2-cyano-3-ethylsulfanyl-3-oxidanylidene-propyl)indole-1-carboxylate Openeye Name: tert-butyl 3-(2-cyano-3-ethylsulfanyl-3-oxo-propyl)indole-1-carboxylate CAS Name: 3-[2-cyano-3-(ethylthio)-3-oxopropyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-cyano-3-ethylsulfanyl-3-oxopropyl)indole-1-carboxylate Traditional Name: 3-[2-cyano-3-(ethylthio)-3-keto-propyl]indole-1-carboxylic acid tert-butyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCSC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C19H22N2O3S/c1-5-25-17(22)13(11-20)10-14-12-21(18(23)24-19(2,3)4)16-9-7-6-8-15(14)16/h6-9,12-13H,5,10H2,1-4H3