4-[(E)-3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-keto-prop-1-enyl]benzonitrile Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)/C=C/C2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N3OS/c22-14-16-9-7-15(8-10-16)11-12-20(25)24-13-3-5-18(24)21-23-17-4-1-2-6-19(17)26-21/h1-2,4,6-12,18H,3,5,13H2/b12-11+/t18-/m1/s1