methyl (2R)-4-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(E)-1-oxo-3-(3-phenoxyphenyl)prop-2-enyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(E)-3-(3-phenoxyphenyl)acryloyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C=CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)/C=C/C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4S/c1-25-21(24)19-15-22(12-13-27-19)20(23)11-10-16-6-5-9-18(14-16)26-17-7-3-2-4-8-17/h2-11,14,19H,12-13,15H2,1H3/b11-10+/t19-/m1/s1