ethyl (Z,4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-isocyano-but-2-enoate

Systemtic Name: ethyl (Z,4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-isocyano-but-2-enoate Openeye Name: ethyl (Z,4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-isocyano-but-2-enoate CAS Name: (Z,4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-isocyano-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z,4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-isocyanobut-2-enoate Traditional Name: (Z,4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-isocyano-but-2-enoic acid ethyl ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC=C(C(=O)OCC)[N+]#[C-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/C=C(/C(=O)OCC)\[N+]#[C-]

InChI

InChI=1S/C16H16N2O2S/c1-4-18-13-8-6-7-9-14(13)21-15(18)11-10-12(17-3)16(19)20-5-2/h6-11H,4-5H2,1-2H3/b12-10-,15-11+