2-[3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]propyl]pyrazole-3-carboxylic acid Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCN4C(=CC=N4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCN4C(=CC=N4)C(=O)O

InChI

InChI=1S/C21H18N4O3S/c1-13-2-7-16-18(12-13)29-20(24-16)14-3-5-15(6-4-14)23-19(26)9-11-25-17(21(27)28)8-10-22-25/h2-8,10,12H,9,11H2,1H3,(H,23,26)(H,27,28)