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

Systemtic Name: methyl 2-(1,4-dimethylpyrazol-3-yl)carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(1,4-dimethylpyrazole-3-carbonyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(1,4-dimethyl-3-pyrazolyl)-oxomethyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,4-dimethylpyrazole-3-carbonyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,4-dimethylpyrazole-3-carbonyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCOC)C

Isomeric SMILES

CC1=CN(N=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCOC)C

InChI

InChI=1S/C18H20N4O4S/c1-11-10-21(2)20-15(11)16(23)19-18-22(7-8-25-3)13-6-5-12(17(24)26-4)9-14(13)27-18/h5-6,9-10H,7-8H2,1-4H3