methyl 2-[[4-cyano-5-[(E)-2-phenylazanylethenyl]-1,2-thiazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 2-[[4-cyano-5-[(E)-2-phenylazanylethenyl]-1,2-thiazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 2-[[5-[(E)-2-anilinovinyl]-4-cyano-isothiazol-3-yl]sulfanylmethyl]benzoate CAS Name: 2-[[[5-[(E)-2-anilinoethenyl]-4-cyano-3-isothiazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-[(E)-2-anilinoethenyl]-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[5-[(E)-2-anilinovinyl]-4-cyano-isothiazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CSC2=NSC(=C2C#N)C=CNC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1CSC2=NSC(=C2C#N)/C=C/NC3=CC=CC=C3

InChI

InChI=1S/C21H17N3O2S2/c1-26-21(25)17-10-6-5-7-15(17)14-27-20-18(13-22)19(28-24-20)11-12-23-16-8-3-2-4-9-16/h2-12,23H,14H2,1H3/b12-11+