ethyl 7-phenylsulfanyl-3,4-dihydro-1H-isothiochromene-1-carboxylate

Systemtic Name: ethyl 7-phenylsulfanyl-3,4-dihydro-1H-isothiochromene-1-carboxylate Openeye Name: ethyl 7-phenylsulfanylisothiochromane-1-carboxylate CAS Name: 7-(phenylthio)-3,4-dihydro-1H-2-benzothiopyran-1-carboxylic acid ethyl ester IUPAC Name: ethyl 7-phenylsulfanyl-3,4-dihydro-1H-isothiochromene-1-carboxylate Traditional Name: 7-(phenylthio)isothiochroman-1-carboxylic acid ethyl ester Formula: C18H18O2S2 MolecularWeight: 330.46432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=C(CCS1)C=CC(=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C2=C(CCS1)C=CC(=C2)SC3=CC=CC=C3

InChI

InChI=1S/C18H18O2S2/c1-2-20-18(19)17-16-12-15(9-8-13(16)10-11-21-17)22-14-6-4-3-5-7-14/h3-9,12,17H,2,10-11H2,1H3