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

Systemtic Name: methyl 3-chloranyl-6-[[1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[1-[(2,4-dimethylphenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H20ClN3O4S MolecularWeight: 469.9406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)C

InChI

InChI=1S/C23H20ClN3O4S/c1-13-4-7-18(14(2)10-13)31-12-27-9-8-17(26-27)22(28)25-15-5-6-16-19(11-15)32-21(20(16)24)23(29)30-3/h4-11H,12H2,1-3H3,(H,25,28)