(Z)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-(allylamino)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-3-(allylamino)-1-(3-keto-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C19H17N3O3S MolecularWeight: 367.42158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)C(=C(C1=CC2=C(C=C1)OCC(=O)N2)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

C=CCNC(=S)/C(=C(\C1=CC2=C(C=C1)OCC(=O)N2)/[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3S/c1-2-8-20-19(26)17(22-9-4-3-5-10-22)18(24)13-6-7-15-14(11-13)21-16(23)12-25-15/h2-7,9-11H,1,8,12H2,(H2-,20,21,23,24,26)