[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 3-acetamidobenzoate

Systemtic Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 3-acetamidobenzoate Openeye Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] ester IUPAC Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl] ester Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)/C(=C/2\NC3=CC=CC=C3S2)/C#N

InChI

InChI=1S/C20H15N3O4S/c1-12(24)22-14-6-4-5-13(9-14)20(26)27-11-17(25)15(10-21)19-23-16-7-2-3-8-18(16)28-19/h2-9,23H,11H2,1H3,(H,22,24)/b19-15+