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

Systemtic Name: methyl (2R)-4-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H18BrNO3S MolecularWeight: 384.28802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CCSC(C2)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CCS[C@H](C2)C(=O)OC)Br

InChI

InChI=1S/C16H18BrNO3S/c1-11-3-4-12(13(17)9-11)5-6-15(19)18-7-8-22-14(10-18)16(20)21-2/h3-6,9,14H,7-8,10H2,1-2H3/b6-5+/t14-/m1/s1