methyl 3-[[(2-methyl-1,3-thiazol-4-yl)carbonylamino]methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate

Systemtic Name: methyl 3-[[(2-methyl-1,3-thiazol-4-yl)carbonylamino]methyl]-5-(2-pyrazol-1-ylethanoylamino)benzoate Openeye Name: methyl 3-[[(2-methylthiazole-4-carbonyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate CAS Name: 3-[[[(2-methyl-4-thiazolyl)-oxomethyl]amino]methyl]-5-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-methyl-1,3-thiazole-4-carbonyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate Traditional Name: 3-[[(2-methylthiazole-4-carbonyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoic acid methyl ester Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)CN3C=CC=N3

Isomeric SMILES

CC1=NC(=CS1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)CN3C=CC=N3

InChI

InChI=1S/C19H19N5O4S/c1-12-22-16(11-29-12)18(26)20-9-13-6-14(19(27)28-2)8-15(7-13)23-17(25)10-24-5-3-4-21-24/h3-8,11H,9-10H2,1-2H3,(H,20,26)(H,23,25)