(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C21H20N2O5S3 MolecularWeight: 476.5889

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C21H20N2O5S3/c24-20(28-13-18-15-30-21(22-18)17-7-12-29-14-17)6-3-16-1-4-19(5-2-16)31(25,26)23-8-10-27-11-9-23/h1-7,12,14-15H,8-11,13H2/b6-3+