dimethyl (2S)-2-[[3-(4-methoxyphenyl)thiomorpholin-4-yl]carbonylamino]butanedioate

Systemtic Name: dimethyl (2S)-2-[[3-(4-methoxyphenyl)thiomorpholin-4-yl]carbonylamino]butanedioate Openeye Name: dimethyl (2S)-2-[[3-(4-methoxyphenyl)thiomorpholine-4-carbonyl]amino]butanedioate CAS Name: (2S)-2-[[[3-(4-methoxyphenyl)-4-thiomorpholinyl]-oxomethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[3-(4-methoxyphenyl)thiomorpholine-4-carbonyl]amino]butanedioate Traditional Name: (2S)-2-[[3-(4-methoxyphenyl)thiomorpholine-4-carbonyl]amino]succinic acid dimethyl ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6S/c1-24-13-6-4-12(5-7-13)15-11-27-9-8-20(15)18(23)19-14(17(22)26-3)10-16(21)25-2/h4-7,14-15H,8-11H2,1-3H3,(H,19,23)/t14-,15?/m0/s1