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

Systemtic Name: methyl 2-[4-(diethylamino)phenyl]carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(diethylamino)benzoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(diethylamino)phenyl]-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(diethylamino)benzoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(diethylamino)benzoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-5-24(6-2)16-10-7-14(8-11-16)19(25)22-21-23(3)17-12-9-15(20(26)27-4)13-18(17)28-21/h7-13H,5-6H2,1-4H3