[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CCCC1=NC2=CC=CC=C2S1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CCCC1=NC2=CC=CC=C2S1)/N

InChI

InChI=1S/C17H17N3O3S/c1-11(19)12(9-18)14(21)10-23-17(22)8-4-7-16-20-13-5-2-3-6-15(13)24-16/h2-3,5-6H,4,7-8,10,19H2,1H3/b12-11+