3-[3-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanidyl-1,2,4-triazin-6-yl]propanoate

Systemtic Name: 3-[3-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanidyl-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-5-oxido-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[[2-(4-methoxycarbonylanilino)-2-oxoethyl]thio]-5-oxido-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[3-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-5-oxido-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[[2-(4-carbomethoxyanilino)-2-keto-ethyl]thio]-5-oxido-1,2,4-triazin-6-yl]propionate Formula: C16H14N4O6S-2 MolecularWeight: 390.37056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)CCC(=O)[O-])[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)CCC(=O)[O-])[O-]

InChI

InChI=1S/C16H16N4O6S/c1-26-15(25)9-2-4-10(5-3-9)17-12(21)8-27-16-18-14(24)11(19-20-16)6-7-13(22)23/h2-5H,6-8H2,1H3,(H,17,21)(H,22,23)(H,18,20,24)/p-2