ethyl (E)-3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-cyano-acrylic acid ethyl ester Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)/C#N

InChI

InChI=1S/C20H17N3O2S/c1-2-25-20(24)15(12-21)13-22-16-9-7-14(8-10-16)11-19-23-17-5-3-4-6-18(17)26-19/h3-10,13,22H,2,11H2,1H3/b15-13+