methyl 3-acetamido-4-(2-methylpropylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-acetamido-4-(2-methylpropylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-acetamido-4-isobutylsulfanyl-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-acetamido-4-(2-methylpropylthio)-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-4-(2-methylpropylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-acetamido-4-(isobutylthio)-6-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC(=CC2=C1C(=C(S2)C(=O)OC)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=CC(=CC2=C1C(=C(S2)C(=O)OC)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S2/c1-8(2)7-24-11-5-10(18(21)22)6-12-13(11)14(17-9(3)19)15(25-12)16(20)23-4/h5-6,8H,7H2,1-4H3,(H,17,19)