ethyl 5-azanyl-4-cyano-3-[[3-nitro-4-[(phenylmethyl)amino]phenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-nitro-4-[(phenylmethyl)amino]phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[4-(benzylamino)-3-nitro-benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[3-nitro-4-[(phenylmethyl)amino]phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[4-(benzylamino)-3-nitrobenzoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[4-(benzylamino)-3-nitro-benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C23H20N4O6S MolecularWeight: 480.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O6S/c1-2-32-23(29)20-17(16(11-24)21(25)34-20)13-33-22(28)15-8-9-18(19(10-15)27(30)31)26-12-14-6-4-3-5-7-14/h3-10,26H,2,12-13,25H2,1H3