ethyl 3-azanyl-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-amino-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-amino-4-[(4-chlorophenyl)methylthio]-6-nitro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-4-[(4-chlorobenzyl)thio]-6-nitro-benzothiophene-2-carboxylic acid ethyl ester Formula: C18H15ClN2O4S2 MolecularWeight: 422.9057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O4S2/c1-2-25-18(22)17-16(20)15-13(7-12(21(23)24)8-14(15)27-17)26-9-10-3-5-11(19)6-4-10/h3-8H,2,9,20H2,1H3