[4-[(1Z)-3-azanyl-2,4,4-tricyano-buta-1,3-dienyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(1Z)-3-azanyl-2,4,4-tricyano-buta-1,3-dienyl]phenyl] thiophene-2-carboxylate Openeye Name: [4-[(1Z)-3-amino-2,4,4-tricyano-buta-1,3-dienyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]phenyl] ester IUPAC Name: [4-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(1Z)-3-amino-2,4,4-tricyano-buta-1,3-dienyl]phenyl] ester Formula: C18H10N4O2S MolecularWeight: 346.3626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=C(C#N)C#N)N

Isomeric SMILES

C1=CSC(=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=C(C#N)C#N)N

InChI

InChI=1S/C18H10N4O2S/c19-9-13(17(22)14(10-20)11-21)8-12-3-5-15(6-4-12)24-18(23)16-2-1-7-25-16/h1-8H,22H2/b13-8+