2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-ethanoyl-amino]ethyl propanoate

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-ethanoyl-amino]ethyl propanoate Openeye Name: 2-[N-acetyl-4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-anilino]ethyl propanoate CAS Name: propanoic acid 2-[N-acetyl-4-(1,3-benzothiazol-2-ylmethoxy)-2-methylanilino]ethyl ester IUPAC Name: 2-[N-acetyl-4-(1,3-benzothiazol-2-ylmethoxy)-2-methylanilino]ethyl propanoate Traditional Name: propionic acid 2-[N-acetyl-4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-anilino]ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-4-22(26)27-12-11-24(16(3)25)19-10-9-17(13-15(19)2)28-14-21-23-18-7-5-6-8-20(18)29-21/h5-10,13H,4,11-12,14H2,1-3H3