(E)-3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-pyrrolidino-2-(2-thienyl)ethyl]acrylamide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C=CC2=NC3=CC=CC=C3S2)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)[C@@H](CNC(=O)/C=C/C2=NC3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C20H21N3OS2/c24-19(9-10-20-22-15-6-1-2-7-17(15)26-20)21-14-16(18-8-5-13-25-18)23-11-3-4-12-23/h1-2,5-10,13,16H,3-4,11-12,14H2,(H,21,24)/b10-9+/t16-/m0/s1