methyl 3-chloranyl-6-[[3-(4-chloranylpyrazol-1-yl)-2-methyl-propanoyl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[3-(4-chloranylpyrazol-1-yl)-2-methyl-propanoyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[3-(4-chloropyrazol-1-yl)-2-methyl-propanoyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[3-(4-chloro-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[3-(4-chloropyrazol-1-yl)-2-methyl-propanoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H15Cl2N3O3S MolecularWeight: 412.2903

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)Cl)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC(CN1C=C(C=N1)Cl)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H15Cl2N3O3S/c1-9(7-22-8-10(18)6-20-22)16(23)21-11-3-4-12-13(5-11)26-15(14(12)19)17(24)25-2/h3-6,8-9H,7H2,1-2H3,(H,21,23)