(E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one

Systemtic Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one Openeye Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one CAS Name: (E)-3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]-1-cyclopropyl-2-propen-1-one IUPAC Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-1-cyclopropylprop-2-en-1-one Traditional Name: (E)-3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-phenyl]-1-cyclopropyl-prop-2-en-1-one Formula: C21H19NO2S2 MolecularWeight: 381.51106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2CC2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2CC2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19NO2S2/c1-24-19-11-7-14(6-10-18(23)15-8-9-15)12-16(19)13-25-21-22-17-4-2-3-5-20(17)26-21/h2-7,10-12,15H,8-9,13H2,1H3/b10-6+