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

Systemtic Name: methyl 3-azanyl-4-(4-chlorophenyl)sulfanyl-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-amino-4-(4-chlorophenyl)sulfanyl-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-amino-4-[(4-chlorophenyl)thio]-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-(4-chlorophenyl)sulfanyl-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-4-[(4-chlorophenyl)thio]-6-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H11ClN2O4S2 MolecularWeight: 394.85254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2SC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2SC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C16H11ClN2O4S2/c1-23-16(20)15-14(18)13-11(24-10-4-2-8(17)3-5-10)6-9(19(21)22)7-12(13)25-15/h2-7H,18H2,1H3