methyl (E)-3-(4-chloranyl-2-phenylsulfanyl-1,3-thiazol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-(4-chloranyl-2-phenylsulfanyl-1,3-thiazol-5-yl)-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-(4-chloro-2-phenylsulfanyl-thiazol-5-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-chloro-2-(phenylthio)-5-thiazolyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-chloro-2-phenylsulfanyl-1,3-thiazol-5-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-chloro-2-(phenylthio)thiazol-5-yl]-2-cyano-acrylic acid methyl ester Formula: C14H9ClN2O2S2 MolecularWeight: 336.81646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=C(N=C(S1)SC2=CC=CC=C2)Cl)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=C(N=C(S1)SC2=CC=CC=C2)Cl)/C#N

InChI

InChI=1S/C14H9ClN2O2S2/c1-19-13(18)9(8-16)7-11-12(15)17-14(21-11)20-10-5-3-2-4-6-10/h2-7H,1H3/b9-7+