ethyl 4-[2-[3-[(2,3-dimethylphenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(2,3-dimethylphenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(2,3-dimethylanilino)-3-oxo-propyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(2,3-dimethylanilino)-3-oxopropyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(2,3-dimethylanilino)-3-oxopropyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(2,3-dimethylanilino)-3-keto-propyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2=CC=CC(=C2C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2=CC=CC(=C2C)C

InChI

InChI=1S/C22H26N2O4S/c1-4-28-22(27)17-8-10-18(11-9-17)23-21(26)14-29-13-12-20(25)24-19-7-5-6-15(2)16(19)3/h5-11H,4,12-14H2,1-3H3,(H,23,26)(H,24,25)