(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-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 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H17N3O3S/c1-11-6-7-15-12(8-11)9-16(25-15)18(23)24-10-21-17(22)13-4-2-3-5-14(13)19-20-21/h2-5,9,11H,6-8,10H2,1H3