tert-butyl N-[3-(4-cyano-5-ethylsulfanyl-2-oxidanylidene-3,3-diphenyl-pyrrol-1-yl)propyl]carbamate

Systemtic Name: tert-butyl N-[3-(4-cyano-5-ethylsulfanyl-2-oxidanylidene-3,3-diphenyl-pyrrol-1-yl)propyl]carbamate Openeye Name: tert-butyl N-[3-(4-cyano-5-ethylsulfanyl-2-oxo-3,3-diphenyl-pyrrol-1-yl)propyl]carbamate CAS Name: N-[3-[4-cyano-5-(ethylthio)-2-oxo-3,3-diphenyl-1-pyrrolyl]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(4-cyano-5-ethylsulfanyl-2-oxo-3,3-diphenylpyrrol-1-yl)propyl]carbamate Traditional Name: N-[3-[4-cyano-5-(ethylthio)-2-keto-3,3-diphenyl-2-pyrrolin-1-yl]propyl]carbamic acid tert-butyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C(=O)N1CCCNC(=O)OC(C)(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCSC1=C(C(C(=O)N1CCCNC(=O)OC(C)(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C27H31N3O3S/c1-5-34-23-22(19-28)27(20-13-8-6-9-14-20,21-15-10-7-11-16-21)24(31)30(23)18-12-17-29-25(32)33-26(2,3)4/h6-11,13-16H,5,12,17-18H2,1-4H3,(H,29,32)