ethyl 7-(2-methylpropyl)-3,4-dihydro-1H-isothiochromene-1-carboxylate

Systemtic Name: ethyl 7-(2-methylpropyl)-3,4-dihydro-1H-isothiochromene-1-carboxylate Openeye Name: ethyl 7-isobutylisothiochromane-1-carboxylate CAS Name: 7-(2-methylpropyl)-3,4-dihydro-1H-2-benzothiopyran-1-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(2-methylpropyl)-3,4-dihydro-1H-isothiochromene-1-carboxylate Traditional Name: 7-isobutylisothiochroman-1-carboxylic acid ethyl ester Formula: C16H22O2S MolecularWeight: 278.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O2S/c1-4-18-16(17)15-14-10-12(9-11(2)3)5-6-13(14)7-8-19-15/h5-6,10-11,15H,4,7-9H2,1-3H3