(2-benzamido-2-oxidanylidene-ethyl) 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4S/c1-12(2)8-9-19-18-20-14(11-26-18)17(24)25-10-15(22)21-16(23)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,19,20)(H,21,22,23)