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

Systemtic Name: methyl 4-[[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-methyl-amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-anilino]-4-oxo-butanoate CAS Name: 4-[3-(1,3-benzothiazol-2-ylmethoxy)-N-methylanilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-(1,3-benzothiazol-2-ylmethoxy)-N-methylanilino]-4-oxobutanoate Traditional Name: 4-[3-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-anilino]-4-keto-butyric acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-22(19(23)10-11-20(24)25-2)14-6-5-7-15(12-14)26-13-18-21-16-8-3-4-9-17(16)27-18/h3-9,12H,10-11,13H2,1-2H3