5-ethyl-2-[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 5-ethyl-2-[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-ethyl-2-[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-ethyl-2-[[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-ethyl-2-[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[[2-[(6-carbomethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]-5-ethyl-6-keto-1H-pyrimidin-4-olate Formula: C17H15N4O5S2- MolecularWeight: 419.4548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)[O-]

Isomeric SMILES

CCC1=C(N=C(NC1=O)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)[O-]

InChI

InChI=1S/C17H16N4O5S2/c1-3-9-13(23)20-16(21-14(9)24)27-7-12(22)19-17-18-10-5-4-8(15(25)26-2)6-11(10)28-17/h4-6H,3,7H2,1-2H3,(H,18,19,22)(H2,20,21,23,24)/p-1