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

Systemtic Name: methyl 3-[2-(4-dimethylaminophenyl)carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-dimethylaminophenyl)-oxomethyl]imino-6-methoxy-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(dimethylamino)benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(dimethylamino)benzoyl]imino-6-methoxy-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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=C(C=C3)OC)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-23(2)15-7-5-14(6-8-15)20(26)22-21-24(12-11-19(25)28-4)17-10-9-16(27-3)13-18(17)29-21/h5-10,13H,11-12H2,1-4H3