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

Systemtic Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]-1-(4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-1-(4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one Formula: C25H21NO3S2 MolecularWeight: 447.56914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H21NO3S2/c1-28-20-11-9-18(10-12-20)22(27)13-7-17-8-14-23(29-2)19(15-17)16-30-25-26-21-5-3-4-6-24(21)31-25/h3-15H,16H2,1-2H3/b13-7+