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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[methyl-(2-nitrobenzyl)amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S/c1-3-25-17(22)15-13(12(8-18)16(19)26-15)10-20(2)9-11-6-4-5-7-14(11)21(23)24/h4-7H,3,9-10,19H2,1-2H3