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

Systemtic Name: methyl 3-[[2-(4-cyanophenyl)carbonylimino-3,4-dimethyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-cyanobenzoyl)imino-3,4-dimethyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[(4-cyanophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-cyanobenzoyl)imino-3,4-dimethyl-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-11-15(17(25)20-9-8-14(23)26-3)27-18(22(11)2)21-16(24)13-6-4-12(10-19)5-7-13/h4-7H,8-9H2,1-3H3,(H,20,25)