[(2Z)-3-ethyl-2-(2-oxidanylidenepropylidene)-1,3-benzothiazol-5-yl] pyridine-3-carboxylate

Systemtic Name: [(2Z)-3-ethyl-2-(2-oxidanylidenepropylidene)-1,3-benzothiazol-5-yl] pyridine-3-carboxylate Openeye Name: [(2Z)-2-acetonylidene-3-ethyl-1,3-benzothiazol-5-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(2Z)-3-ethyl-2-(2-oxopropylidene)-1,3-benzothiazol-5-yl] ester IUPAC Name: [(2Z)-3-ethyl-2-(2-oxopropylidene)-1,3-benzothiazol-5-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(2Z)-2-acetonylidene-3-ethyl-1,3-benzothiazol-5-yl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)OC(=O)C3=CN=CC=C3)SC1=CC(=O)C

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)OC(=O)C3=CN=CC=C3)S/C1=C\C(=O)C

InChI

InChI=1S/C18H16N2O3S/c1-3-20-15-10-14(23-18(22)13-5-4-8-19-11-13)6-7-16(15)24-17(20)9-12(2)21/h4-11H,3H2,1-2H3/b17-9-