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

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl] (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OC2=CC=CC=C2C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OC2=CC=CC=C2C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C26H23N3O2S/c1-4-13-29-17(2)14-19(18(29)3)15-20(16-27)26(30)31-23-11-7-5-9-21(23)25-28-22-10-6-8-12-24(22)32-25/h5-12,14-15H,4,13H2,1-3H3/b20-15+