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

Systemtic Name: methyl 6-[[1-[(4-tert-butylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[1-[(4-tert-butylphenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C25H24ClN3O4S MolecularWeight: 497.99376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O4S/c1-25(2,3)15-5-8-17(9-6-15)33-14-29-12-11-19(28-29)23(30)27-16-7-10-18-20(13-16)34-22(21(18)26)24(31)32-4/h5-13H,14H2,1-4H3,(H,27,30)