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

Systemtic Name: methyl 3-chloranyl-6-[[1-(phenoxymethyl)pyrazol-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[oxo-[1-(phenoxymethyl)-3-pyrazolyl]methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O4S/c1-28-21(27)19-18(22)15-8-7-13(11-17(15)30-19)23-20(26)16-9-10-25(24-16)12-29-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,26)