ethyl 3-[[2-(methoxymethyl)-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-(methoxymethyl)-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-(methoxymethyl)-1,3-benzothiazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-(methoxymethyl)-1,3-benzothiazol-5-yl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-(methoxymethyl)-1,3-benzothiazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-(methoxymethyl)-1,3-benzothiazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(=N3)COC

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(=N3)COC

InChI

InChI=1S/C21H22N2O4S/c1-3-27-20(24)11-12-23(16-7-5-4-6-8-16)21(25)15-9-10-18-17(13-15)22-19(28-18)14-26-2/h4-10,13H,3,11-12,14H2,1-2H3