methyl 4-[2-[(2-acetamido-3-methyl-butanoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[(2-acetamido-3-methyl-butanoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[(2-acetamido-3-methyl-butanoyl)amino]thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[(2-acetamido-3-methyl-1-oxobutyl)amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(2-acetamido-3-methylbutanoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(2-acetamido-3-methyl-butanoyl)amino]thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC(=CS1)C2=CNC(=C2)C(=O)OC)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC1=NC(=CS1)C2=CNC(=C2)C(=O)OC)NC(=O)C

InChI

InChI=1S/C16H20N4O4S/c1-8(2)13(18-9(3)21)14(22)20-16-19-12(7-25-16)10-5-11(17-6-10)15(23)24-4/h5-8,13,17H,1-4H3,(H,18,21)(H,19,20,22)