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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-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 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C=C1

InChI

InChI=1S/C18H15N3O3S/c1-11-6-7-12-9-16(25-15(12)8-11)18(23)24-10-21-17(22)13-4-2-3-5-14(13)19-20-21/h2-8,16H,9-10H2,1H3