methyl 2-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate

Systemtic Name: methyl 2-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Openeye Name: methyl 2-[[(E)-2-cyano-2-(4-phenylthiazol-2-yl)vinyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-2-(4-phenyl-2-thiazolyl)ethenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Traditional Name: 2-[[(E)-2-cyano-2-(4-phenylthiazol-2-yl)vinyl]amino]benzoic acid methyl ester Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1N/C=C(\C#N)/C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H15N3O2S/c1-25-20(24)16-9-5-6-10-17(16)22-12-15(11-21)19-23-18(13-26-19)14-7-3-2-4-8-14/h2-10,12-13,22H,1H3/b15-12+