[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl] ester Formula: C22H25NO4S2 MolecularWeight: 431.5682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C22H25NO4S2/c1-26-19-6-3-2-5-16(19)11-12-23-20(24)15-27-21(25)17-7-9-18(10-8-17)22-28-13-4-14-29-22/h2-3,5-10,22H,4,11-15H2,1H3,(H,23,24)