methyl 4-[[2-(4-cyanophenyl)carbonylimino-4-methyl-3-propan-2-yl-1,3-thiazol-5-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-cyanophenyl)carbonylimino-4-methyl-3-propan-2-yl-1,3-thiazol-5-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[2-(4-cyanobenzoyl)imino-3-isopropyl-4-methyl-thiazole-5-carbonyl]amino]butanoate CAS Name: 4-[[[2-[(4-cyanophenyl)-oxomethyl]imino-4-methyl-3-propan-2-yl-5-thiazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-cyanobenzoyl)imino-4-methyl-3-propan-2-yl-1,3-thiazole-5-carbonyl]amino]butanoate Traditional Name: 4-[[2-(4-cyanobenzoyl)imino-3-isopropyl-4-methyl-4-thiazoline-5-carbonyl]amino]butyric acid methyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C#N)N1C(C)C)C(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C#N)N1C(C)C)C(=O)NCCCC(=O)OC

InChI

InChI=1S/C21H24N4O4S/c1-13(2)25-14(3)18(20(28)23-11-5-6-17(26)29-4)30-21(25)24-19(27)16-9-7-15(12-22)8-10-16/h7-10,13H,5-6,11H2,1-4H3,(H,23,28)