[1-(3-aminocarbonyl-2-methoxy-phenyl)-2-(1,3-dithian-2-yl)-2-phenyl-ethyl] ethanoate

Systemtic Name: [1-(3-aminocarbonyl-2-methoxy-phenyl)-2-(1,3-dithian-2-yl)-2-phenyl-ethyl] ethanoate Openeye Name: [1-(3-carbamoyl-2-methoxy-phenyl)-2-(1,3-dithian-2-yl)-2-phenyl-ethyl] acetate CAS Name: acetic acid [1-(3-carbamoyl-2-methoxyphenyl)-2-(1,3-dithian-2-yl)-2-phenylethyl] ester IUPAC Name: [1-(3-carbamoyl-2-methoxyphenyl)-2-(1,3-dithian-2-yl)-2-phenylethyl] acetate Traditional Name: acetic acid [1-(3-carbamoyl-2-methoxy-phenyl)-2-(1,3-dithian-2-yl)-2-phenyl-ethyl] ester Formula: C22H25NO4S2 MolecularWeight: 431.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC(=C1OC)C(=O)N)C(C2SCCCS2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC(C1=CC=CC(=C1OC)C(=O)N)C(C2SCCCS2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO4S2/c1-14(24)27-20(16-10-6-11-17(21(23)25)19(16)26-2)18(15-8-4-3-5-9-15)22-28-12-7-13-29-22/h3-6,8-11,18,20,22H,7,12-13H2,1-2H3,(H2,23,25)