4-[[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-anilino]-4-oxo-butanoic acid CAS Name: 4-[3-(1,3-benzothiazol-2-ylmethoxy)-N-methylanilino]-4-oxobutanoic acid IUPAC Name: 4-[3-(1,3-benzothiazol-2-ylmethoxy)-N-methylanilino]-4-oxobutanoic acid Traditional Name: 4-[3-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-anilino]-4-keto-butyric acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3S2)C(=O)CCC(=O)O

Isomeric SMILES

CN(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3S2)C(=O)CCC(=O)O

InChI

InChI=1S/C19H18N2O4S/c1-21(18(22)9-10-19(23)24)13-5-4-6-14(11-13)25-12-17-20-15-7-2-3-8-16(15)26-17/h2-8,11H,9-10,12H2,1H3,(H,23,24)