butyl 4-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3,4-dimethoxyphenyl)thio]acetyl]amino]benzoic acid butyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H25NO5S/c1-4-5-12-27-21(24)15-6-8-16(9-7-15)22-20(23)14-28-17-10-11-18(25-2)19(13-17)26-3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,23)