ethyl 2-[[5-oxidanylidene-4-(phenylmethyl)thiomorpholin-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[5-oxidanylidene-4-(phenylmethyl)thiomorpholin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(4-benzyl-5-oxo-thiomorpholine-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: 2-[[oxo-[5-oxo-4-(phenylmethyl)-3-thiomorpholinyl]methyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzyl-5-oxothiomorpholine-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: 2-[(4-benzyl-5-keto-thiomorpholine-3-carbonyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2CSCC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2CSCC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4S/c1-2-29-23(28)19(13-17-9-5-3-6-10-17)24-22(27)20-15-30-16-21(26)25(20)14-18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,24,27)