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

Systemtic Name: ethyl 3-azanyl-6-nitro-4-(phenylmethylsulfanyl)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-amino-4-benzylsulfanyl-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-amino-6-nitro-4-(phenylmethylthio)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-benzylsulfanyl-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-4-(benzylthio)-6-nitro-benzothiophene-2-carboxylic acid ethyl ester Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H16N2O4S2/c1-2-24-18(21)17-16(19)15-13(25-10-11-6-4-3-5-7-11)8-12(20(22)23)9-14(15)26-17/h3-9H,2,10,19H2,1H3