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

Systemtic Name: methyl 3-chloranyl-6-[[1-[(3-chloranylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[1-[(3-chlorophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H15Cl2N3O4S MolecularWeight: 476.3325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3)COC4=CC(=CC=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3)COC4=CC(=CC=C4)Cl)Cl

InChI

InChI=1S/C21H15Cl2N3O4S/c1-29-21(28)19-18(23)15-6-5-13(10-17(15)31-19)24-20(27)16-7-8-26(25-16)11-30-14-4-2-3-12(22)9-14/h2-10H,11H2,1H3,(H,24,27)