(4-methylsulfanylphenyl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (4-methylsulfanylphenyl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [4-(methylthio)benzyl] ester Formula: C18H15NO2S2 MolecularWeight: 341.4472

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H15NO2S2/c1-22-14-8-6-13(7-9-14)12-21-18(20)11-10-17-19-15-4-2-3-5-16(15)23-17/h2-11H,12H2,1H3/b11-10+