methyl 3-chloranyl-6-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-ethyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-ethyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

InChI

InChI=1S/C18H18ClN3O3S/c1-5-22-10(3)14(9(2)21-22)17(23)20-11-6-7-12-13(8-11)26-16(15(12)19)18(24)25-4/h6-8H,5H2,1-4H3,(H,20,23)