ethyl 3-[[2-[3-(acetamidomethylsulfanyl)propanoyl]pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-[3-(acetamidomethylsulfanyl)propanoyl]pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-[3-(acetamidomethylsulfanyl)propanoyl]pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[3-(acetamidomethylthio)-1-oxopropyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-(acetamidomethylsulfanyl)propanoyl]pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-[3-(acetamidomethylthio)propanoyl]pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CCSCNC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CCSCNC(=O)C

InChI

InChI=1S/C19H26N4O5S/c1-3-28-18(26)15-6-4-7-16(12-15)21-19(27)23-10-5-9-22(23)17(25)8-11-29-13-20-14(2)24/h4,6-7,12H,3,5,8-11,13H2,1-2H3,(H,20,24)(H,21,27)