methyl (2S)-2-[[3-(4-methoxyphenyl)thiomorpholin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[3-(4-methoxyphenyl)thiomorpholin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[3-(4-methoxyphenyl)thiomorpholine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[3-(4-methoxyphenyl)-4-thiomorpholinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(4-methoxyphenyl)thiomorpholine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-(4-methoxyphenyl)thiomorpholine-4-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CSCCN2C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CSCCN2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O4S/c1-27-18-10-8-17(9-11-18)20-15-29-13-12-24(20)22(26)23-19(21(25)28-2)14-16-6-4-3-5-7-16/h3-11,19-20H,12-15H2,1-2H3,(H,23,26)/t19-,20?/m0/s1