5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-5-oxopentanoic acid IUPAC Name: 5-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]valeric acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-12-5-10-15-16(11-12)25-19(21-15)13-6-8-14(9-7-13)20-17(22)3-2-4-18(23)24/h5-11H,2-4H2,1H3,(H,20,22)(H,23,24)