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

Systemtic Name: methyl 3-[[3-cyclopropyl-2-[4-(iminomethylsulfanyl)phenyl]carbonylimino-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[3-cyclopropyl-2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[3-cyclopropyl-2-[[4-(methanimidoylthio)phenyl]-oxomethyl]imino-4-methyl-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-cyclopropyl-2-(4-methanimidoylsulfanylbenzoyl)imino-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[3-cyclopropyl-2-[4-(formimidoylthio)benzoyl]imino-4-methyl-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)SC=N)N1C3CC3)C(=O)NCCC(=O)OC

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)SC=N)N1C3CC3)C(=O)NCCC(=O)OC

InChI

InChI=1S/C20H22N4O4S2/c1-12-17(19(27)22-10-9-16(25)28-2)30-20(24(12)14-5-6-14)23-18(26)13-3-7-15(8-4-13)29-11-21/h3-4,7-8,11,14,21H,5-6,9-10H2,1-2H3,(H,22,27)