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

Systemtic Name: methyl 3-[4-chloranyl-2-(4-dimethylaminophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4-chloro-2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4-chloro-2-[(4-dimethylaminophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-chloro-2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4-chloro-2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC=C3Cl)CCC(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC=C3Cl)CCC(=O)OC

InChI

InChI=1S/C20H20ClN3O3S/c1-23(2)14-9-7-13(8-10-14)19(26)22-20-24(12-11-17(25)27-3)18-15(21)5-4-6-16(18)28-20/h4-10H,11-12H2,1-3H3