methyl (2S)-4-methylsulfanyl-2-[phenylcarbonyl-[1-(1,3-thiazol-4-ylcarbonyl)piperidin-4-yl]amino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[phenylcarbonyl-[1-(1,3-thiazol-4-ylcarbonyl)piperidin-4-yl]amino]butanoate Openeye Name: methyl (2S)-2-[benzoyl-[1-(thiazole-4-carbonyl)-4-piperidyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[benzoyl-[1-[oxo(4-thiazolyl)methyl]-4-piperidinyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzoyl-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[benzoyl-[1-(thiazole-4-carbonyl)-4-piperidyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N(C1CCN(CC1)C(=O)C2=CSC=N2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)N(C1CCN(CC1)C(=O)C2=CSC=N2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S2/c1-29-22(28)19(10-13-30-2)25(20(26)16-6-4-3-5-7-16)17-8-11-24(12-9-17)21(27)18-14-31-15-23-18/h3-7,14-15,17,19H,8-13H2,1-2H3/t19-/m0/s1