(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(5-chloro-2-thienyl)methylsulfanyl]acetate CAS Name: 2-[(5-chloro-2-thiophenyl)methylthio]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(5-chloro-2-thienyl)methylthio]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C15H12ClN3O3S2 MolecularWeight: 381.85708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CSCC3=CC=C(S3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CSCC3=CC=C(S3)Cl

InChI

InChI=1S/C15H12ClN3O3S2/c16-13-6-5-10(24-13)7-23-8-14(20)22-9-19-15(21)11-3-1-2-4-12(11)17-18-19/h1-6H,7-9H2