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

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C22H25NO3S2/c1-3-16-5-11-19(12-6-16)23-20(24)15(2)26-21(25)17-7-9-18(10-8-17)22-27-13-4-14-28-22/h5-12,15,22H,3-4,13-14H2,1-2H3,(H,23,24)