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

Systemtic Name: methyl 3-[[3-butyl-2-[4-(iminomethylsulfanyl)phenyl]carbonylimino-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[3-butyl-2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[3-butyl-2-[[4-(methanimidoylthio)phenyl]-oxomethyl]imino-4-methyl-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-butyl-2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[3-butyl-2-[4-(formimidoylthio)benzoyl]imino-4-methyl-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(SC1=NC(=O)C2=CC=C(C=C2)SC=N)C(=O)NCCC(=O)OC)C

Isomeric SMILES

CCCCN1C(=C(SC1=NC(=O)C2=CC=C(C=C2)SC=N)C(=O)NCCC(=O)OC)C

InChI

InChI=1S/C21H26N4O4S2/c1-4-5-12-25-14(2)18(20(28)23-11-10-17(26)29-3)31-21(25)24-19(27)15-6-8-16(9-7-15)30-13-22/h6-9,13,22H,4-5,10-12H2,1-3H3,(H,23,28)