methyl (E)-3-methoxy-2-[2-[(4-oxidanylidenethiochromen-2-yl)sulfanylmethyl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-methoxy-2-[2-[(4-oxidanylidenethiochromen-2-yl)sulfanylmethyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-methoxy-2-[2-[(4-oxothiochromen-2-yl)sulfanylmethyl]phenyl]prop-2-enoate CAS Name: (E)-3-methoxy-2-[2-[[(4-oxo-1-benzothiopyran-2-yl)thio]methyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-methoxy-2-[2-[(4-oxothiochromen-2-yl)sulfanylmethyl]phenyl]prop-2-enoate Traditional Name: (E)-2-[2-[[(4-ketothiochromen-2-yl)thio]methyl]phenyl]-3-methoxy-acrylic acid methyl ester Formula: C21H18O4S2 MolecularWeight: 398.49522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC=C(C1=CC=CC=C1CSC2=CC(=O)C3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CO/C=C(\C1=CC=CC=C1CSC2=CC(=O)C3=CC=CC=C3S2)/C(=O)OC

InChI

InChI=1S/C21H18O4S2/c1-24-12-17(21(23)25-2)15-8-4-3-7-14(15)13-26-20-11-18(22)16-9-5-6-10-19(16)27-20/h3-12H,13H2,1-2H3/b17-12+