1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-phenylsulfanyl-prop-2-en-1-one

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-phenylsulfanyl-prop-2-en-1-one Openeye Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-phenylsulfanyl-prop-2-en-1-one CAS Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-morpholinyl]-3-(phenylthio)-2-propen-1-one IUPAC Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one Traditional Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholino]-3-(phenylthio)prop-2-en-1-one Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=O)C=CSC2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COC(CN1C(=O)C=CSC2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO5S/c23-21(8-11-28-18-4-2-1-3-5-18)22-9-10-24-17(13-22)14-25-16-6-7-19-20(12-16)27-15-26-19/h1-8,11-12,17H,9-10,13-15H2