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

Systemtic Name: methyl 3-[[2-[4-(iminomethylsulfanyl)phenyl]carbonylimino-4-methyl-3-propan-2-yl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[3-isopropyl-2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[[4-(methanimidoylthio)phenyl]-oxomethyl]imino-4-methyl-3-propan-2-yl-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-3-propan-2-yl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-[4-(formimidoylthio)benzoyl]imino-3-isopropyl-4-methyl-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S2/c1-12(2)24-13(3)17(19(27)22-10-9-16(25)28-4)30-20(24)23-18(26)14-5-7-15(8-6-14)29-11-21/h5-8,11-12,21H,9-10H2,1-4H3,(H,22,27)