(1R)-6-cyclohexyl-N-(2,5-diethoxyphenyl)-4-oxidanylidene-1H-isothiochromene-1-carboxamide

Systemtic Name: (1R)-6-cyclohexyl-N-(2,5-diethoxyphenyl)-4-oxidanylidene-1H-isothiochromene-1-carboxamide Openeye Name: (1R)-6-cyclohexyl-N-(2,5-diethoxyphenyl)-4-oxo-isothiochromane-1-carboxamide CAS Name: (1R)-6-cyclohexyl-N-(2,5-diethoxyphenyl)-4-oxo-1H-2-benzothiopyran-1-carboxamide IUPAC Name: (1R)-6-cyclohexyl-N-(2,5-diethoxyphenyl)-4-oxo-1H-isothiochromene-1-carboxamide Traditional Name: (1R)-6-cyclohexyl-N-(2,5-diethoxyphenyl)-4-keto-isothiochroman-1-carboxamide Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2C3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)[C@H]2C3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2

InChI

InChI=1S/C26H31NO4S/c1-3-30-19-11-13-24(31-4-2)22(15-19)27-26(29)25-20-12-10-18(17-8-6-5-7-9-17)14-21(20)23(28)16-32-25/h10-15,17,25H,3-9,16H2,1-2H3,(H,27,29)/t25-/m1/s1