2-[3-(aminocarbonylamino)-2-(2-chloranylethanoylimino)-1,3-thiazol-4-yl]-2-[6-oxidanylidene-2-[(4-sulfamoylphenyl)amino]-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[3-(aminocarbonylamino)-2-(2-chloranylethanoylimino)-1,3-thiazol-4-yl]-2-[6-oxidanylidene-2-[(4-sulfamoylphenyl)amino]-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-(2-chloroacetyl)imino-3-ureido-thiazol-4-yl]-2-[6-oxo-2-(4-sulfamoylanilino)-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-(carbamoylamino)-2-(2-chloro-1-oxoethyl)imino-4-thiazolyl]-2-[6-oxo-2-(4-sulfamoylanilino)-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-(carbamoylamino)-2-(2-chloroacetyl)imino-1,3-thiazol-4-yl]-2-[6-oxo-2-(4-sulfamoylanilino)-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-(2-chloroacetyl)imino-3-ureido-4-thiazolin-4-yl]-2-[6-keto-2-(4-sulfamoylanilino)-1H-pyrimidin-5-yl]acetic acid Formula: C18H17ClN8O7S2 MolecularWeight: 556.95998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=O)N2)C(C3=CSC(=NC(=O)CCl)N3NC(=O)N)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=O)N2)C(C3=CSC(=NC(=O)CCl)N3NC(=O)N)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C18H17ClN8O7S2/c19-5-12(28)24-18-27(26-16(20)32)11(7-35-18)13(15(30)31)10-6-22-17(25-14(10)29)23-8-1-3-9(4-2-8)36(21,33)34/h1-4,6-7,13H,5H2,(H,30,31)(H3,20,26,32)(H2,21,33,34)(H2,22,23,25,29)