methyl 6-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)ethanoylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)ethanoylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[2-(4-bromo-3-methyl-pyrazol-1-yl)acetyl]amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[2-(4-bromo-3-methyl-1-pyrazolyl)-1-oxoethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[2-(4-bromo-3-methyl-pyrazol-1-yl)acetyl]amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H13BrClN3O3S MolecularWeight: 442.71472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=NN(C=C1Br)CC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C16H13BrClN3O3S/c1-8-11(17)6-21(20-8)7-13(22)19-9-3-4-10-12(5-9)25-15(14(10)18)16(23)24-2/h3-6H,7H2,1-2H3,(H,19,22)