1,3-benzothiazol-2-ylmethyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O5S2/c24-21(28-15-20-22-18-3-1-2-4-19(18)29-20)10-7-16-5-8-17(9-6-16)30(25,26)23-11-13-27-14-12-23/h1-10H,11-15H2/b10-7+