S-[2-[2-cyclohexylethylcarbamoyl-(1-propanoyl-2,5-dihydropyrrol-2-yl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclohexylethylcarbamoyl-(1-propanoyl-2,5-dihydropyrrol-2-yl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethylcarbamoyl-(1-propanoyl-2,5-dihydropyrrol-2-yl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[(2-cyclohexylethylamino)-oxomethyl]-[1-(1-oxopropyl)-2,5-dihydropyrrol-2-yl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethylcarbamoyl-(1-propanoyl-2,5-dihydropyrrol-2-yl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethylcarbamoyl-(1-propionyl-3-pyrrolin-2-yl)amino]ethyl] ester Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC=CC1N(CCSC(=O)C)C(=O)NCCC2CCCCC2

Isomeric SMILES

CCC(=O)N1CC=CC1N(CCSC(=O)C)C(=O)NCCC2CCCCC2

InChI

InChI=1S/C20H33N3O3S/c1-3-19(25)22-13-7-10-18(22)23(14-15-27-16(2)24)20(26)21-12-11-17-8-5-4-6-9-17/h7,10,17-18H,3-6,8-9,11-15H2,1-2H3,(H,21,26)