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

Systemtic Name: ethyl 3-azanyl-4-(2-methylpropylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-amino-4-isobutylsulfanyl-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-amino-4-(2-methylpropylthio)-6-nitro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(2-methylpropylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-4-(isobutylthio)-6-nitro-benzothiophene-2-carboxylic acid ethyl ester Formula: C15H18N2O4S2 MolecularWeight: 354.44442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC(C)C)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC(C)C)[N+](=O)[O-])N

InChI

InChI=1S/C15H18N2O4S2/c1-4-21-15(18)14-13(16)12-10(22-7-8(2)3)5-9(17(19)20)6-11(12)23-14/h5-6,8H,4,7,16H2,1-3H3