[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Openeye Name: [2-oxo-2-(3-pyridylmethylamino)ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate CAS Name: 8-(1,3-benzothiazol-2-yl)-1-naphthalenecarboxylic acid [2-oxo-2-(3-pyridinylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Traditional Name: 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylic acid [2-keto-2-(3-pyridylmethylamino)ethyl] ester Formula: C26H19N3O3S MolecularWeight: 453.51236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=CC4=C3C(=CC=C4)C(=O)OCC(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=CC4=C3C(=CC=C4)C(=O)OCC(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C26H19N3O3S/c30-23(28-15-17-6-5-13-27-14-17)16-32-26(31)20-10-4-8-18-7-3-9-19(24(18)20)25-29-21-11-1-2-12-22(21)33-25/h1-14H,15-16H2,(H,28,30)