3-[1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid

Systemtic Name: 3-[1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-[1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[1-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-2-hydroxy-2-oxoethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[1-[4-(1,2-benzothiazol-3-yl)piperazino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-6-carboxylic acid Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C23H22N4O4S/c1-25-13-17(15-7-6-14(22(28)29)12-18(15)25)20(23(30)31)26-8-10-27(11-9-26)21-16-4-2-3-5-19(16)32-24-21/h2-7,12-13,20H,8-11H2,1H3,(H,28,29)(H,30,31)