methyl 3-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[2-(2-methylpropanoylamino)thiazol-4-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[2-[(2-methyl-1-oxopropyl)amino]-4-thiazolyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[2-(isobutyrylamino)thiazol-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=CS1)CC(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC1=NC(=CS1)CC(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C17H19N3O4S/c1-10(2)15(22)20-17-19-13(9-25-17)8-14(21)18-12-6-4-5-11(7-12)16(23)24-3/h4-7,9-10H,8H2,1-3H3,(H,18,21)(H,19,20,22)