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

Systemtic Name: methyl 3-azanyl-4-(2-methylpropylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-amino-4-isobutylsulfanyl-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-amino-4-(2-methylpropylthio)-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-(2-methylpropylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-4-(isobutylthio)-6-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C14H16N2O4S2 MolecularWeight: 340.41784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S2/c1-7(2)6-21-9-4-8(16(18)19)5-10-11(9)12(15)13(22-10)14(17)20-3/h4-5,7H,6,15H2,1-3H3