[1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-acetylanilino)-1-oxopropan-2-yl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C22H23NO4S2/c1-14(24)18-6-3-4-7-19(18)23-20(25)15(2)27-21(26)16-8-10-17(11-9-16)22-28-12-5-13-29-22/h3-4,6-11,15,22H,5,12-13H2,1-2H3,(H,23,25)