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

Systemtic Name: methyl 3-[[2-(4-cyanophenyl)carbonylimino-3-cyclopropyl-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-cyanobenzoyl)imino-3-cyclopropyl-4-methyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[(4-cyanophenyl)-oxomethyl]imino-3-cyclopropyl-4-methyl-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-cyanobenzoyl)imino-3-cyclopropyl-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-cyanobenzoyl)imino-3-cyclopropyl-4-methyl-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C#N)N1C3CC3)C(=O)NCCC(=O)OC

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C#N)N1C3CC3)C(=O)NCCC(=O)OC

InChI

InChI=1S/C20H20N4O4S/c1-12-17(19(27)22-10-9-16(25)28-2)29-20(24(12)15-7-8-15)23-18(26)14-5-3-13(11-21)4-6-14/h3-6,15H,7-10H2,1-2H3,(H,22,27)