methyl 2-[4-(diethylamino)phenyl]carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-(diethylamino)phenyl]carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(diethylamino)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(diethylamino)phenyl]-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(diethylamino)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(diethylamino)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)N(CC)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)N(CC)CC

InChI

InChI=1S/C22H25N3O3S/c1-5-24(6-2)17-11-8-15(9-12-17)20(26)23-22-25(7-3)18-13-10-16(21(27)28-4)14-19(18)29-22/h8-14H,5-7H2,1-4H3