(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(N=C2C=C(C=CC2=C1)OC)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)OCC1=C(N=C2C=C(C=CC2=C1)OC)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H21ClN2O4S/c1-12(2)18(24-20(25)17-5-4-8-29-17)21(26)28-11-14-9-13-6-7-15(27-3)10-16(13)23-19(14)22/h4-10,12,18H,11H2,1-3H3,(H,24,25)