(E)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidyl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidino]-3-(2-thienyl)prop-2-en-1-one Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=CS2)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)/C=C/C2=CC=CS2)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N2O3S/c23-20(8-6-17-4-2-12-26-17)22-9-1-3-16(14-22)21-15-5-7-18-19(13-15)25-11-10-24-18/h2,4-8,12-13,16,21H,1,3,9-11,14H2/b8-6+/t16-/m0/s1