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

Systemtic Name: methyl 4-[3-[2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5S/c1-29-19(28)12-2-5-14(6-3-12)22-17(26)9-7-15-11-30-20(23-15)24-18(27)13-4-8-16(25)21-10-13/h2-6,8,10-11H,7,9H2,1H3,(H,21,25)(H,22,26)(H,23,24,27)