ethyl 5-[(3-chloranyl-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[(3-chloranyl-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[(3-chloro-2-methoxycarbonyl-benzothiophen-6-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[(3-chloro-2-methoxycarbonyl-1-benzothiophen-6-yl)amino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[(2-carbomethoxy-3-chloro-benzothiophen-6-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C18H16ClN3O5S/c1-4-27-17(24)12-8-11(21-22(12)2)16(23)20-9-5-6-10-13(7-9)28-15(14(10)19)18(25)26-3/h5-8H,4H2,1-3H3,(H,20,23)