2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-oxidanylidene-3-prop-2-enyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-oxidanylidene-3-prop-2-enyl-pyrimidin-4-olate Openeye Name: 3-allyl-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-5-ethyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-5-ethyl-6-oxo-3-prop-2-enyl-4-pyrimidinolate IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-5-ethyl-6-oxo-3-prop-2-enylpyrimidin-4-olate Traditional Name: 3-allyl-2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-5-ethyl-6-keto-pyrimidin-4-olate Formula: C18H17N4O3S2- MolecularWeight: 401.48258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)CC=C)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)CC=C)[O-]

InChI

InChI=1S/C18H18N4O3S2/c1-3-9-22-16(25)11(4-2)15(24)21-18(22)26-10-14(23)20-17-19-12-7-5-6-8-13(12)27-17/h3,5-8,25H,1,4,9-10H2,2H3,(H,19,20,23)/p-1