methyl 3-[[3-hexyl-2-[4-(iminomethylsulfanyl)phenyl]carbonylimino-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[3-hexyl-2-[4-(iminomethylsulfanyl)phenyl]carbonylimino-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[3-hexyl-2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[3-hexyl-2-[[4-(methanimidoylthio)phenyl]-oxomethyl]imino-4-methyl-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-hexyl-2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-[4-(formimidoylthio)benzoyl]imino-3-hexyl-4-methyl-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C23H30N4O4S2 MolecularWeight: 490.6387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(SC1=NC(=O)C2=CC=C(C=C2)SC=N)C(=O)NCCC(=O)OC)C

Isomeric SMILES

CCCCCCN1C(=C(SC1=NC(=O)C2=CC=C(C=C2)SC=N)C(=O)NCCC(=O)OC)C

InChI

InChI=1S/C23H30N4O4S2/c1-4-5-6-7-14-27-16(2)20(22(30)25-13-12-19(28)31-3)33-23(27)26-21(29)17-8-10-18(11-9-17)32-15-24/h8-11,15,24H,4-7,12-14H2,1-3H3,(H,25,30)