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

Systemtic Name: 6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-6-oxo-hexanoic acid CAS Name: 6-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-6-oxohexanoic acid IUPAC Name: 6-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-6-oxohexanoic acid Traditional Name: 6-keto-6-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]hexanoic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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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)CCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-13-6-11-16-17(12-13)26-20(22-16)14-7-9-15(10-8-14)21-18(23)4-2-3-5-19(24)25/h6-12H,2-5H2,1H3,(H,21,23)(H,24,25)