2-azanyl-5-[[3-(carboxymethyloxy)-4-[(3,5-dicyano-4-methyl-thiophen-2-yl)diazenyl]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-(carboxymethyloxy)-4-[(3,5-dicyano-4-methyl-thiophen-2-yl)diazenyl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[3-(carboxymethyloxy)-4-[(3,5-dicyano-4-methyl-2-thienyl)azo]anilino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[3-(carboxymethyloxy)-4-[(3,5-dicyano-4-methyl-2-thiophenyl)azo]anilino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[3-(carboxymethyloxy)-4-[(3,5-dicyano-4-methylthiophen-2-yl)diazenyl]anilino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[3-(carboxymethyloxy)-4-[(3,5-dicyano-4-methyl-2-thienyl)azo]anilino]-5-keto-valeric acid Formula: C20H18N6O6S MolecularWeight: 470.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)N=NC2=C(C=C(C=C2)NC(=O)CCC(C(=O)O)N)OCC(=O)O)C#N

Isomeric SMILES

CC1=C(SC(=C1C#N)N=NC2=C(C=C(C=C2)NC(=O)CCC(C(=O)O)N)OCC(=O)O)C#N

InChI

InChI=1S/C20H18N6O6S/c1-10-12(7-21)19(33-16(10)8-22)26-25-14-4-2-11(6-15(14)32-9-18(28)29)24-17(27)5-3-13(23)20(30)31/h2,4,6,13H,3,5,9,23H2,1H3,(H,24,27)(H,28,29)(H,30,31)