[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]acetate CAS Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]acetate Traditional Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C21H29NO4S2 MolecularWeight: 423.58926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)COC2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)COC2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C21H29NO4S2/c23-19(22-13-16-5-2-1-3-6-16)14-26-20(24)15-25-18-9-7-17(8-10-18)21-27-11-4-12-28-21/h7-10,16,21H,1-6,11-15H2,(H,22,23)