[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)OCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H12ClN3O4S/c17-14-6-5-13(25-14)12(21)9-24-15(22)7-8-20-16(23)10-3-1-2-4-11(10)18-19-20/h1-6H,7-9H2