(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H13N3O3S2/c1-10(20)11(8-19)13(22)9-24-18(23)16-7-6-15(25-16)17-21-12-4-2-3-5-14(12)26-17/h2-7,11,20H,9H2,1H3