ethyl (E)-2-cyano-3-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl-phenyl-amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl-phenyl-amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[N-[(2-oxo-1,3-benzothiazol-3-yl)methyl]anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[N-[(2-oxo-1,3-benzothiazol-3-yl)methyl]anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[N-[(2-oxo-1,3-benzothiazol-3-yl)methyl]anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[N-[(2-keto-1,3-benzothiazol-3-yl)methyl]anilino]acrylic acid ethyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(CN1C2=CC=CC=C2SC1=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/N(CN1C2=CC=CC=C2SC1=O)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C20H17N3O3S/c1-2-26-19(24)15(12-21)13-22(16-8-4-3-5-9-16)14-23-17-10-6-7-11-18(17)27-20(23)25/h3-11,13H,2,14H2,1H3/b15-13+