[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(butylamino)benzoate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(butylamino)benzoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/C#N

InChI

InChI=1S/C23H23N3O3S/c1-3-4-13-25-18-10-6-5-9-16(18)23(28)29-15-20(27)17(14-24)22-26(2)19-11-7-8-12-21(19)30-22/h5-12,25H,3-4,13,15H2,1-2H3/b22-17-