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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-prop-2-enyl-pyrimidin-4-olate Openeye Name: 3-allyl-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-6-oxo-3-prop-2-enyl-4-pyrimidinolate IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-6-oxo-3-prop-2-enylpyrimidin-4-olate Traditional Name: 3-allyl-2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-6-keto-pyrimidin-4-olate Formula: C16H13N4O3S2- MolecularWeight: 373.42942

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=NC3=CC=CC=C3S2)[O-]

Isomeric SMILES

C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=NC3=CC=CC=C3S2)[O-]

InChI

InChI=1S/C16H14N4O3S2/c1-2-7-20-14(23)8-12(21)19-16(20)24-9-13(22)18-15-17-10-5-3-4-6-11(10)25-15/h2-6,8,23H,1,7,9H2,(H,17,18,22)/p-1