2-[2-[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[(6-carbethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H15N4O4S2- MolecularWeight: 403.4554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=CC(=N3)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=CC(=N3)[O-])C

InChI

InChI=1S/C17H16N4O4S2/c1-3-25-15(24)10-4-5-11-12(7-10)27-17(19-11)21-14(23)8-26-16-18-9(2)6-13(22)20-16/h4-7H,3,8H2,1-2H3,(H,18,20,22)(H,19,21,23)/p-1