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

Systemtic Name: methyl 3-[[3-cyclobutyl-2-[4-(iminomethylsulfanyl)phenyl]carbonylimino-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[3-cyclobutyl-2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[3-cyclobutyl-2-[[4-(methanimidoylthio)phenyl]-oxomethyl]imino-4-methyl-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-cyclobutyl-2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[3-cyclobutyl-2-[4-(formimidoylthio)benzoyl]imino-4-methyl-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)SC=N)N1C3CCC3)C(=O)NCCC(=O)OC

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)SC=N)N1C3CCC3)C(=O)NCCC(=O)OC

InChI

InChI=1S/C21H24N4O4S2/c1-13-18(20(28)23-11-10-17(26)29-2)31-21(25(13)15-4-3-5-15)24-19(27)14-6-8-16(9-7-14)30-12-22/h6-9,12,15,22H,3-5,10-11H2,1-2H3,(H,23,28)