methyl 3-[2-(4-dimethylaminophenyl)carbonylimino-6-ethyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(4-dimethylaminophenyl)carbonylimino-6-ethyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-ethyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-dimethylaminophenyl)-oxomethyl]imino-6-ethyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-ethyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(dimethylamino)benzoyl]imino-6-ethyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)N(C)C)S2)CCC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)N(C)C)S2)CCC(=O)OC

InChI

InChI=1S/C22H25N3O3S/c1-5-15-6-11-18-19(14-15)29-22(25(18)13-12-20(26)28-4)23-21(27)16-7-9-17(10-8-16)24(2)3/h6-11,14H,5,12-13H2,1-4H3