ethyl (E,4E)-2-cyano-4-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)but-2-enoate

Systemtic Name: ethyl (E,4E)-2-cyano-4-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)but-2-enoate Openeye Name: ethyl (E,4E)-2-cyano-4-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)but-2-enoate CAS Name: (E,4E)-2-cyano-4-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E,4E)-2-cyano-4-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)but-2-enoate Traditional Name: (E,4E)-2-cyano-4-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)but-2-enoic acid ethyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C(=C2)C)C)SC1=CC=C(C#N)C(=O)OCC

Isomeric SMILES

CCN\1C2=C(C=C(C(=C2)C)C)S/C1=C/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C18H20N2O2S/c1-5-20-15-9-12(3)13(4)10-16(15)23-17(20)8-7-14(11-19)18(21)22-6-2/h7-10H,5-6H2,1-4H3/b14-7+,17-8+