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

Systemtic Name: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(2-acetylanilino)-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(2-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(2-acetylanilino)-2-keto-ethyl] ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C21H21NO4S2/c1-14(23)17-5-2-3-6-18(17)22-19(24)13-26-20(25)15-7-9-16(10-8-15)21-27-11-4-12-28-21/h2-3,5-10,21H,4,11-13H2,1H3,(H,22,24)