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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3S2

InChI

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