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

Systemtic Name: 3-[3-[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanidyl-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-[2-(2-ethoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-5-oxido-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[[2-(2-ethoxycarbonylanilino)-2-oxoethyl]thio]-5-oxido-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[3-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]sulfanyl-5-oxido-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[[2-(2-carbethoxyanilino)-2-keto-ethyl]thio]-5-oxido-1,2,4-triazin-6-yl]propionate Formula: C17H16N4O6S-2 MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=C(N=N2)CCC(=O)[O-])[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=C(N=N2)CCC(=O)[O-])[O-]

InChI

InChI=1S/C17H18N4O6S/c1-2-27-16(26)10-5-3-4-6-11(10)18-13(22)9-28-17-19-15(25)12(20-21-17)7-8-14(23)24/h3-6H,2,7-9H2,1H3,(H,18,22)(H,23,24)(H,19,21,25)/p-2