(6-chloranylpyridin-3-yl)methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: (6-chloro-3-pyridyl)methyl 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid (6-chloro-3-pyridyl)methyl ester Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CCC(=O)NCCC(=O)OCC2=CN=C(C=C2)Cl

Isomeric SMILES

C1=CSC(=C1)C(=O)CCC(=O)NCCC(=O)OCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C17H17ClN2O4S/c18-15-5-3-12(10-20-15)11-24-17(23)7-8-19-16(22)6-4-13(21)14-2-1-9-25-14/h1-3,5,9-10H,4,6-8,11H2,(H,19,22)