1,3-benzothiazol-2-ylmethyl 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: 2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C21H21N3O2S/c1-4-9-24-14(2)10-16(15(24)3)11-17(12-22)21(25)26-13-20-23-18-7-5-6-8-19(18)27-20/h5-8,10-11H,4,9,13H2,1-3H3