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

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: (2-chloro-3-quinolyl)methyl 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid (2-chloro-3-quinolyl)methyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H19ClN2O4S/c22-21-15(12-14-4-1-2-5-16(14)24-21)13-28-20(27)9-10-23-19(26)8-7-17(25)18-6-3-11-29-18/h1-6,11-12H,7-10,13H2,(H,23,26)