1-(2-chloroethyl)-3-cyclopentyl-7,8-dimethoxy-1H-isothiochromene

Systemtic Name: 1-(2-chloroethyl)-3-cyclopentyl-7,8-dimethoxy-1H-isothiochromene Openeye Name: 1-(2-chloroethyl)-3-cyclopentyl-7,8-dimethoxy-1H-isothiochromene CAS Name: 1-(2-chloroethyl)-3-cyclopentyl-7,8-dimethoxy-1H-2-benzothiopyran IUPAC Name: 1-(2-chloroethyl)-3-cyclopentyl-7,8-dimethoxy-1H-isothiochromene Traditional Name: 1-(2-chloroethyl)-3-cyclopentyl-7,8-dimethoxy-1H-isothiochromene Formula: C18H23ClO2S MolecularWeight: 338.89202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(SC2CCCl)C3CCCC3)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(SC2CCCl)C3CCCC3)OC

InChI

InChI=1S/C18H23ClO2S/c1-20-14-8-7-13-11-16(12-5-3-4-6-12)22-15(9-10-19)17(13)18(14)21-2/h7-8,11-12,15H,3-6,9-10H2,1-2H3