ethyl 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-3-methyl-benzoate CAS Name: 4-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxopropyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-3-methylbenzoate Traditional Name: 4-[2-[(3,4-dimethoxyphenyl)thio]propanoylamino]-3-methyl-benzoic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)SC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)SC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H25NO5S/c1-6-27-21(24)15-7-9-17(13(2)11-15)22-20(23)14(3)28-16-8-10-18(25-4)19(12-16)26-5/h7-12,14H,6H2,1-5H3,(H,22,23)