2-azanyl-5-[[3-(2-carboxyethyl)-4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-(2-carboxyethyl)-4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[3-(2-carboxyethyl)-4-(5-cyano-4-methyl-thiazol-2-yl)azo-anilino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[3-(2-carboxyethyl)-4-[(5-cyano-4-methyl-2-thiazolyl)azo]anilino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[3-(2-carboxyethyl)-4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)diazenyl]anilino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[3-(2-carboxyethyl)-4-(5-cyano-4-methyl-thiazol-2-yl)azo-anilino]-5-keto-valeric acid Formula: C19H20N6O5S MolecularWeight: 444.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=NC2=C(C=C(C=C2)NC(=O)CCC(C(=O)O)N)CCC(=O)O)C#N

Isomeric SMILES

CC1=C(SC(=N1)N=NC2=C(C=C(C=C2)NC(=O)CCC(C(=O)O)N)CCC(=O)O)C#N

InChI

InChI=1S/C19H20N6O5S/c1-10-15(9-20)31-19(22-10)25-24-14-5-3-12(8-11(14)2-7-17(27)28)23-16(26)6-4-13(21)18(29)30/h3,5,8,13H,2,4,6-7,21H2,1H3,(H,23,26)(H,27,28)(H,29,30)