ethyl 3-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-acetyl-2-methoxy-benzyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C21H23NO5S/c1-4-27-21(25)16-6-5-7-18(11-16)22-20(24)13-28-12-17-10-15(14(2)23)8-9-19(17)26-3/h5-11H,4,12-13H2,1-3H3,(H,22,24)