1,3-benzothiazol-2-ylmethyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-2-[[(E)-styryl]sulfonylamino]butanoate CAS Name: 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Traditional Name: 3-methyl-2-[[(E)-styryl]sulfonylamino]butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2S1)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S2/c1-15(2)20(23-29(25,26)13-12-16-8-4-3-5-9-16)21(24)27-14-19-22-17-10-6-7-11-18(17)28-19/h3-13,15,20,23H,14H2,1-2H3/b13-12+