(E)-1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-(2-thienyl)prop-2-en-1-one Formula: C20H21NO3S MolecularWeight: 355.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=CC=CS2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)/C=C/C2=CC=CS2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21NO3S/c22-20(9-7-16-4-2-13-25-16)21-10-1-5-17(21)15-6-8-18-19(14-15)24-12-3-11-23-18/h2,4,6-9,13-14,17H,1,3,5,10-12H2/b9-7+/t17-/m1/s1