(5-chloranyl-2-methoxy-phenyl)methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid (5-chloro-2-methoxy-benzyl) ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C19H20ClNO5S/c1-25-16-6-4-14(20)11-13(16)12-26-19(24)8-9-21-18(23)7-5-15(22)17-3-2-10-27-17/h2-4,6,10-11H,5,7-9,12H2,1H3,(H,21,23)