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

Systemtic Name: (Z)-3-(ethylamino)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-(ethylamino)-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)-3-(ethylamino)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-3-(ethylamino)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-3-(ethylamino)-1-(3-keto-4H-1,4-benzoxazin-6-yl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-2-19-18(25)16(21-8-4-3-5-9-21)17(23)12-6-7-14-13(10-12)20-15(22)11-24-14/h3-10H,2,11H2,1H3,(H2-,19,20,22,23,25)