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

Systemtic Name: methyl 3-[2-(4-dimethylaminophenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-dimethylaminophenyl)-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(dimethylamino)benzoyl]imino-6-methyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)N(C)C)S2)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)N(C)C)S2)CCC(=O)OC

InChI

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