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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-methoxyethyl)-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-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C=C(C#N)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)/C=C(\C#N)/C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21N3O3S/c1-14-10-16(15(2)24(14)8-9-26-3)11-17(12-22)21(25)27-13-20-23-18-6-4-5-7-19(18)28-20/h4-7,10-11H,8-9,13H2,1-3H3/b17-11+