6-[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[(2E)-2-(3-indolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C21H16N4O4S MolecularWeight: 420.44114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NNC(=C4C=NC5=CC=CC=C54)O3

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN/C(=C/4\C=NC5=CC=CC=C54)/O3

InChI

InChI=1S/C21H16N4O4S/c1-11(19(27)12-6-7-17-16(8-12)23-18(26)10-28-17)30-21-25-24-20(29-21)14-9-22-15-5-3-2-4-13(14)15/h2-9,11,24H,10H2,1H3,(H,23,26)/b20-14-