methyl 2-[2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H19ClN4O5S MolecularWeight: 426.87456

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C17H19ClN4O5S/c1-8-4-5-10-11(6-8)28-16(13(10)17(24)27-3)19-12(23)7-21-9(2)14(18)15(20-21)22(25)26/h8H,4-7H2,1-3H3,(H,19,23)