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

Systemtic Name: methyl 3-[[3-cyclopentyl-2-[4-(iminomethylsulfanyl)phenyl]carbonylimino-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[3-cyclopentyl-2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[3-cyclopentyl-2-[[4-(methanimidoylthio)phenyl]-oxomethyl]imino-4-methyl-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-cyclopentyl-2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[3-cyclopentyl-2-[4-(formimidoylthio)benzoyl]imino-4-methyl-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C22H26N4O4S2 MolecularWeight: 474.59624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)SC=N)N1C3CCCC3)C(=O)NCCC(=O)OC

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)SC=N)N1C3CCCC3)C(=O)NCCC(=O)OC

InChI

InChI=1S/C22H26N4O4S2/c1-14-19(21(29)24-12-11-18(27)30-2)32-22(26(14)16-5-3-4-6-16)25-20(28)15-7-9-17(10-8-15)31-13-23/h7-10,13,16,23H,3-6,11-12H2,1-2H3,(H,24,29)