methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5-morpholino-benzoate CAS Name: 2-[[3-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[3-[(4-methoxyphenyl)thio]propanoylamino]-5-morpholino-benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C22H26N2O5S/c1-27-17-4-6-18(7-5-17)30-14-9-21(25)23-20-8-3-16(15-19(20)22(26)28-2)24-10-12-29-13-11-24/h3-8,15H,9-14H2,1-2H3,(H,23,25)