methyl (2R)-4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H18BrNO4S MolecularWeight: 400.28742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)N2CCSC(C2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)N2CCS[C@H](C2)C(=O)OC

InChI

InChI=1S/C16H18BrNO4S/c1-21-13-5-4-12(17)9-11(13)3-6-15(19)18-7-8-23-14(10-18)16(20)22-2/h3-6,9,14H,7-8,10H2,1-2H3/b6-3+/t14-/m1/s1