[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-(p-tolyl)thiazole-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-thiazolecarboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(p-tolyl)thiazole-4-carboxylic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O[C@H](C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O5S/c1-12-3-5-14(6-4-12)20-23-16(10-29-20)21(25)28-13(2)19(24)22-15-7-8-17-18(9-15)27-11-26-17/h3-10,13H,11H2,1-2H3,(H,22,24)/t13-/m1/s1