3-[(3-chloranyl-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: 3-[(3-chloranyl-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylate Openeye Name: 3-[(3-chloro-2-methoxycarbonyl-benzothiophen-6-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylate CAS Name: 3-[[(3-chloro-2-methoxycarbonyl-1-benzothiophen-6-yl)amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylate IUPAC Name: 3-[(3-chloro-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamoyl]-1-methylpyrazole-4-carboxylate Traditional Name: 3-[(2-carbomethoxy-3-chloro-benzothiophen-6-yl)carbamoyl]-1-methyl-pyrazole-4-carboxylate Formula: C16H11ClN3O5S- MolecularWeight: 392.79364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C(=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C(=O)[O-]

InChI

InChI=1S/C16H12ClN3O5S/c1-20-6-9(15(22)23)12(19-20)14(21)18-7-3-4-8-10(5-7)26-13(11(8)17)16(24)25-2/h3-6H,1-2H3,(H,18,21)(H,22,23)/p-1