ethyl 4-[3-[2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-[2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate Openeye Name: ethyl 4-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]thiazol-4-yl]propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[2-[[oxo-(6-oxo-1H-pyridin-3-yl)methyl]amino]-4-thiazolyl]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzoate Traditional Name: 4-[3-[2-[(6-keto-1H-pyridine-3-carbonyl)amino]thiazol-4-yl]propanoylamino]benzoic acid ethyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CSC(=N2)NC(=O)C3=CNC(=O)C=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CSC(=N2)NC(=O)C3=CNC(=O)C=C3

InChI

InChI=1S/C21H20N4O5S/c1-2-30-20(29)13-3-6-15(7-4-13)23-18(27)10-8-16-12-31-21(24-16)25-19(28)14-5-9-17(26)22-11-14/h3-7,9,11-12H,2,8,10H2,1H3,(H,22,26)(H,23,27)(H,24,25,28)