ethyl 5-azanyl-4-cyano-3-[(4-methyl-2-nitro-phenoxy)methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-methyl-2-nitro-phenoxy)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-methyl-2-nitro-phenoxy)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(4-methyl-2-nitrophenoxy)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-methyl-2-nitrophenoxy)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-methyl-2-nitro-phenoxy)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S/c1-3-23-16(20)14-11(10(7-17)15(18)25-14)8-24-13-5-4-9(2)6-12(13)19(21)22/h4-6H,3,8,18H2,1-2H3