methyl 2-(4-dimethylaminophenyl)carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(4-dimethylaminophenyl)carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(dimethylamino)benzoyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-dimethylaminophenyl)-oxomethyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(dimethylamino)benzoyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(dimethylamino)benzoyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic 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)C(=O)OC)CCOC

Isomeric SMILES

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

InChI

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