1-(2-chloroethyl)-6,7,8-trimethoxy-1H-isothiochromene

Systemtic Name: 1-(2-chloroethyl)-6,7,8-trimethoxy-1H-isothiochromene Openeye Name: 1-(2-chloroethyl)-6,7,8-trimethoxy-1H-isothiochromene CAS Name: 1-(2-chloroethyl)-6,7,8-trimethoxy-1H-2-benzothiopyran IUPAC Name: 1-(2-chloroethyl)-6,7,8-trimethoxy-1H-isothiochromene Traditional Name: 1-(2-chloroethyl)-6,7,8-trimethoxy-1H-isothiochromene Formula: C14H17ClO3S MolecularWeight: 300.80098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(SC=CC2=C1)CCCl)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(SC=CC2=C1)CCCl)OC)OC

InChI

InChI=1S/C14H17ClO3S/c1-16-10-8-9-5-7-19-11(4-6-15)12(9)14(18-3)13(10)17-2/h5,7-8,11H,4,6H2,1-3H3