1-(2-chloroethyl)-8-methoxy-3-phenyl-1H-isothiochromene

Systemtic Name: 1-(2-chloroethyl)-8-methoxy-3-phenyl-1H-isothiochromene Openeye Name: 1-(2-chloroethyl)-8-methoxy-3-phenyl-1H-isothiochromene CAS Name: 1-(2-chloroethyl)-8-methoxy-3-phenyl-1H-2-benzothiopyran IUPAC Name: 1-(2-chloroethyl)-8-methoxy-3-phenyl-1H-isothiochromene Traditional Name: 1-(2-chloroethyl)-8-methoxy-3-phenyl-1H-isothiochromene Formula: C18H17ClOS MolecularWeight: 316.84498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(SC(=C2)C3=CC=CC=C3)CCCl

Isomeric SMILES

COC1=CC=CC2=C1C(SC(=C2)C3=CC=CC=C3)CCCl

InChI

InChI=1S/C18H17ClOS/c1-20-15-9-5-8-14-12-17(13-6-3-2-4-7-13)21-16(10-11-19)18(14)15/h2-9,12,16H,10-11H2,1H3