2-[[3-[(5-carbamimidoyl-3H-1,2-thiazol-2-yl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[3-[(5-carbamimidoyl-3H-1,2-thiazol-2-yl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[3-[(5-carbamimidoyl-3H-isothiazol-2-yl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[3-[(5-carbamimidoyl-3H-isothiazol-2-yl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[3-[(5-carbamimidoyl-3H-1,2-thiazol-2-yl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[3-[(5-amidino-4-isothiazolin-2-yl)methyl]-2-keto-1-methyl-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C25H23N7O5S2 MolecularWeight: 565.62402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C(C1=O)CN5CC=C(S5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C(C1=O)CN5CC=C(S5)C(=N)N

InChI

InChI=1S/C25H23N7O5S2/c1-30-19-8-7-16(12-17(19)29-18(25(30)35)13-31-11-9-20(38-31)24(26)27)32(14-22(33)34)39(36,37)21-6-2-4-15-5-3-10-28-23(15)21/h2-10,12H,11,13-14H2,1H3,(H3,26,27)(H,33,34)