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

Systemtic Name: ethyl 3-[2-(4-dimethylaminophenyl)carbonylimino-6-ethyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-5-16-7-12-19-20(15-16)30-23(26(19)14-13-21(27)29-6-2)24-22(28)17-8-10-18(11-9-17)25(3)4/h7-12,15H,5-6,13-14H2,1-4H3