3-[[3-acetamido-5-[ethyl(3-sulfopropyl)amino]pyrazin-2-yl]diazenyl]-2,1-benzothiazole-5-sulfonic acid

Systemtic Name: 3-[[3-acetamido-5-[ethyl(3-sulfopropyl)amino]pyrazin-2-yl]diazenyl]-2,1-benzothiazole-5-sulfonic acid Openeye Name: 3-[3-acetamido-5-[ethyl(3-sulfopropyl)amino]pyrazin-2-yl]azo-2,1-benzothiazole-5-sulfonic acid CAS Name: 3-[[3-acetamido-5-[ethyl(3-sulfopropyl)amino]-2-pyrazinyl]azo]-2,1-benzothiazole-5-sulfonic acid IUPAC Name: 3-[[3-acetamido-5-[ethyl(3-sulfopropyl)amino]pyrazin-2-yl]diazenyl]-2,1-benzothiazole-5-sulfonic acid Traditional Name: 3-[3-acetamido-5-[ethyl(3-sulfopropyl)amino]pyrazin-2-yl]azo-2,1-benzothiazole-5-sulfonic acid Formula: C18H21N7O7S3 MolecularWeight: 543.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)(=O)O)C1=CN=C(C(=N1)NC(=O)C)N=NC2=C3C=C(C=CC3=NS2)S(=O)(=O)O

Isomeric SMILES

CCN(CCCS(=O)(=O)O)C1=CN=C(C(=N1)NC(=O)C)N=NC2=C3C=C(C=CC3=NS2)S(=O)(=O)O

InChI

InChI=1S/C18H21N7O7S3/c1-3-25(7-4-8-34(27,28)29)15-10-19-16(17(21-15)20-11(2)26)22-23-18-13-9-12(35(30,31)32)5-6-14(13)24-33-18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,21,26)(H,27,28,29)(H,30,31,32)