ethyl 2-[[(3,4-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(3,4-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3,4-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3,4-dimethylanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3,4-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3,4-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C19H25N3O3S/c1-6-25-18(23)16-11-26-17(21-16)10-22(12(2)3)19(24)20-15-8-7-13(4)14(5)9-15/h7-9,11-12H,6,10H2,1-5H3,(H,20,24)