ethyl 1-[(2S)-4-methylsulfanyl-2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-4-methylsulfanyl-2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-4-methylsulfanyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-4-(methylthio)-1-oxo-2-[[oxo-(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]amino]butyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-4-methylsulfanyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[(3-keto-2,4-dihydroquinoxaline-1-carbonyl)amino]-4-(methylthio)butanoyl]isonipecotic acid ethyl ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CCSC)NC(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](CCSC)NC(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C22H30N4O5S/c1-3-31-21(29)15-8-11-25(12-9-15)20(28)17(10-13-32-2)24-22(30)26-14-19(27)23-16-6-4-5-7-18(16)26/h4-7,15,17H,3,8-14H2,1-2H3,(H,23,27)(H,24,30)/t17-/m0/s1