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

Systemtic Name: methyl (2R)-4-[(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acryloyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C18H22ClNO5S MolecularWeight: 399.88898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)N2CCSC(C2)C(=O)OC)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)N2CCS[C@H](C2)C(=O)OC)Cl)OC

InChI

InChI=1S/C18H22ClNO5S/c1-4-25-14-10-12(9-13(19)17(14)23-2)5-6-16(21)20-7-8-26-15(11-20)18(22)24-3/h5-6,9-10,15H,4,7-8,11H2,1-3H3/b6-5+/t15-/m1/s1