ethyl 4-[(E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoyl]thiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoyl]thiomorpholine-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)prop-2-enoyl]thiomorpholine-3-carboxylate CAS Name: 4-[(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-1-oxoprop-2-enyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]thiomorpholine-3-carboxylate Traditional Name: 4-[(E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)acryloyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C20H26ClNO5S MolecularWeight: 427.94214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C=CC2=CC(=C(C(=C2)Cl)OC(C)C)OC

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)/C=C/C2=CC(=C(C(=C2)Cl)OC(C)C)OC

InChI

InChI=1S/C20H26ClNO5S/c1-5-26-20(24)16-12-28-9-8-22(16)18(23)7-6-14-10-15(21)19(27-13(2)3)17(11-14)25-4/h6-7,10-11,13,16H,5,8-9,12H2,1-4H3/b7-6+