ethyl 4-[3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxo-pyrrolidin-2-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[2-[[4-(methylthio)phenyl]methyl]-5-oxo-2-pyrrolidinyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[5-keto-2-[4-(methylthio)benzyl]pyrrolidin-2-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCC2(CCC(=O)N2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCC2(CCC(=O)N2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H31N3O4S/c1-3-29-21(28)25-14-12-24(13-15-25)20(27)9-11-22(10-8-19(26)23-22)16-17-4-6-18(30-2)7-5-17/h4-7H,3,8-16H2,1-2H3,(H,23,26)