ethyl 1-[[3-(4-butylsulfanylphenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(4-butylsulfanylphenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-(4-butylsulfanylphenyl)imino-2-oxo-indolin-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-[4-(butylthio)phenyl]imino-2-oxo-1-indolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(4-butylsulfanylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-[4-(butylthio)phenyl]imino-2-keto-indolin-1-yl]methyl]isonipecotic acid ethyl ester Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCCCSC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C27H33N3O3S/c1-3-5-18-34-22-12-10-21(11-13-22)28-25-23-8-6-7-9-24(23)30(26(25)31)19-29-16-14-20(15-17-29)27(32)33-4-2/h6-13,20H,3-5,14-19H2,1-2H3