(3R)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N-[(2-methoxyphenyl)methyl]-5-oxidanylidene-thiolane-3-carboxamide

Systemtic Name: (3R)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N-[(2-methoxyphenyl)methyl]-5-oxidanylidene-thiolane-3-carboxamide Openeye Name: (3R)-N-[2-(cyclohexylamino)-2-oxo-ethyl]-N-[(2-methoxyphenyl)methyl]-5-oxo-tetrahydrothiophene-3-carboxamide CAS Name: (3R)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-oxo-3-thiolanecarboxamide IUPAC Name: (3R)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]-5-oxothiolane-3-carboxamide Traditional Name: (3R)-N-[2-(cyclohexylamino)-2-keto-ethyl]-5-keto-N-o-anisyl-tetrahydrothiophene-3-carboxamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(CC(=O)NC2CCCCC2)C(=O)C3CC(=O)SC3

Isomeric SMILES

COC1=CC=CC=C1CN(CC(=O)NC2CCCCC2)C(=O)[C@H]3CC(=O)SC3

InChI

InChI=1S/C21H28N2O4S/c1-27-18-10-6-5-7-15(18)12-23(21(26)16-11-20(25)28-14-16)13-19(24)22-17-8-3-2-4-9-17/h5-7,10,16-17H,2-4,8-9,11-14H2,1H3,(H,22,24)/t16-/m0/s1