(E)-3-(1,3-benzoxazol-2-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[(2S)-2-(2-thienyl)pyrrolidino]prop-2-en-1-one Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=NC3=CC=CC=C3O2)C4=CC=CS4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)/C=C/C2=NC3=CC=CC=C3O2)C4=CC=CS4

InChI

InChI=1S/C18H16N2O2S/c21-18(20-11-3-6-14(20)16-8-4-12-23-16)10-9-17-19-13-5-1-2-7-15(13)22-17/h1-2,4-5,7-10,12,14H,3,6,11H2/b10-9+/t14-/m0/s1