(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H15N3O4S/c1-11(20)14(9-19)15(22)10-25-18(24)12-4-6-13(7-5-12)21-17(23)16-3-2-8-26-16/h2-8,14,20H,10H2,1H3,(H,21,23)