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

Systemtic Name: methyl (2R)-4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(E)-3-(4-ethylphenyl)-1-oxoprop-2-enyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(E)-3-(4-ethylphenyl)acryloyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)N2CCSC(C2)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)N2CCS[C@H](C2)C(=O)OC

InChI

InChI=1S/C17H21NO3S/c1-3-13-4-6-14(7-5-13)8-9-16(19)18-10-11-22-15(12-18)17(20)21-2/h4-9,15H,3,10-12H2,1-2H3/b9-8+/t15-/m1/s1