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

Systemtic Name: ethyl 3-[2-(4-dimethylaminophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-dimethylaminophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H23N3O3S/c1-4-27-19(25)13-14-24-17-7-5-6-8-18(17)28-21(24)22-20(26)15-9-11-16(12-10-15)23(2)3/h5-12H,4,13-14H2,1-3H3