N-[2,6-di(propan-2-yl)phenyl]-6-methoxy-7-pentoxy-3,4-dihydro-1H-isothiochromene-1-carboxamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-6-methoxy-7-pentoxy-3,4-dihydro-1H-isothiochromene-1-carboxamide Openeye Name: N-(2,6-diisopropylphenyl)-6-methoxy-7-pentoxy-isothiochromane-1-carboxamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-6-methoxy-7-pentoxy-3,4-dihydro-1H-2-benzothiopyran-1-carboxamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-6-methoxy-7-pentoxy-3,4-dihydro-1H-isothiochromene-1-carboxamide Traditional Name: 7-amoxy-N-(2,6-diisopropylphenyl)-6-methoxy-isothiochroman-1-carboxamide Formula: C28H39NO3S MolecularWeight: 469.67916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C2CCSC(C2=C1)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C)OC

Isomeric SMILES

CCCCCOC1=C(C=C2CCSC(C2=C1)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C)OC

InChI

InChI=1S/C28H39NO3S/c1-7-8-9-14-32-25-17-23-20(16-24(25)31-6)13-15-33-27(23)28(30)29-26-21(18(2)3)11-10-12-22(26)19(4)5/h10-12,16-19,27H,7-9,13-15H2,1-6H3,(H,29,30)