(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H12ClN3O4S MolecularWeight: 401.82358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)Cl

InChI

InChI=1S/C18H12ClN3O4S/c1-25-10-6-7-12-14(8-10)27-16(15(12)19)18(24)26-9-22-17(23)11-4-2-3-5-13(11)20-21-22/h2-8H,9H2,1H3