ethanoic acid; methyl 3-[[2-(4-carbamimidoylphenyl)carbonylimino-4-methyl-3-phenyl-1,3-thiazol-5-yl]carbonylamino]propanoate

Systemtic Name: ethanoic acid; methyl 3-[[2-(4-carbamimidoylphenyl)carbonylimino-4-methyl-3-phenyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: acetic acid; methyl 3-[[2-(4-carbamimidoylbenzoyl)imino-4-methyl-3-phenyl-thiazole-5-carbonyl]amino]propanoate CAS Name: acetic acid; 3-[[[2-[(4-carbamimidoylphenyl)-oxomethyl]imino-4-methyl-3-phenyl-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: acetic acid; methyl 3-[[2-(4-carbamimidoylbenzoyl)imino-4-methyl-3-phenyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: acetic acid; 3-[[2-(4-amidinobenzoyl)imino-4-methyl-3-phenyl-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C25H27N5O6S MolecularWeight: 525.57678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=N)N)N1C3=CC=CC=C3)C(=O)NCCC(=O)OC.CC(=O)O

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=N)N)N1C3=CC=CC=C3)C(=O)NCCC(=O)OC.CC(=O)O

InChI

InChI=1S/C23H23N5O4S.C2H4O2/c1-14-19(22(31)26-13-12-18(29)32-2)33-23(28(14)17-6-4-3-5-7-17)27-21(30)16-10-8-15(9-11-16)20(24)25;1-2(3)4/h3-11H,12-13H2,1-2H3,(H3,24,25)(H,26,31);1H3,(H,3,4)