[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] (E)-but-2-enoate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] (E)-but-2-enoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic 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] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(=O)C(=C1N(C2=CC=CC=C2S1)C)C#N

Isomeric SMILES

C/C=C/C(=O)OCC(=O)/C(=C\1/N(C2=CC=CC=C2S1)C)/C#N

InChI

InChI=1S/C16H14N2O3S/c1-3-6-15(20)21-10-13(19)11(9-17)16-18(2)12-7-4-5-8-14(12)22-16/h3-8H,10H2,1-2H3/b6-3+,16-11-