methyl 2-[(5-benzamido-3-methyl-1,2-thiazol-4-yl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(5-benzamido-3-methyl-1,2-thiazol-4-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(5-benzamido-3-methyl-isothiazole-4-carbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(5-benzamido-3-methyl-4-isothiazolyl)-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(5-benzamido-3-methyl-1,2-thiazole-4-carbonyl)amino]-4-methylpentanoate Traditional Name: 2-[(5-benzamido-3-methyl-isothiazole-4-carbonyl)amino]-4-methyl-valeric acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)NC(CC(C)C)C(=O)OC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NSC(=C1C(=O)NC(CC(C)C)C(=O)OC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H23N3O4S/c1-11(2)10-14(19(25)26-4)20-17(24)15-12(3)22-27-18(15)21-16(23)13-8-6-5-7-9-13/h5-9,11,14H,10H2,1-4H3,(H,20,24)(H,21,23)