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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-2-(2-thenoylamino)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O4S/c1-10(21)13(8-20)15(23)9-26-18(25)12-5-4-11(19)7-14(12)22-17(24)16-3-2-6-27-16/h2-7,13,21H,9H2,1H3,(H,22,24)