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

Systemtic Name: [4-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-methoxy-phenyl] 2-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]-2-methoxy-phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-2-(4-methyl-2-thiazolyl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]-2-methoxy-phenyl] ester Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC)C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC)/C#N

InChI

InChI=1S/C21H15ClN2O3S/c1-13-12-28-20(24-13)15(11-23)9-14-7-8-18(19(10-14)26-2)27-21(25)16-5-3-4-6-17(16)22/h3-10,12H,1-2H3/b15-9+