ethyl 5-azanyl-4-cyano-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(4-nitrophenyl)piperazino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4S/c1-2-28-19(25)17-16(15(11-20)18(21)29-17)12-22-7-9-23(10-8-22)13-3-5-14(6-4-13)24(26)27/h3-6H,2,7-10,12,21H2,1H3