1,3-benzothiazol-2-ylmethyl (E)-2-cyano-3-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-2-cyano-3-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-2-cyano-3-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-2-cyano-3-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C=C(C#N)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)COC)C)/C=C(\C#N)/C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H23N3O3S/c1-14-9-17(16(3)25(14)15(2)12-27-4)10-18(11-23)22(26)28-13-21-24-19-7-5-6-8-20(19)29-21/h5-10,15H,12-13H2,1-4H3/b18-10+/t15-/m1/s1