[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C16H14N2O3S/c1-9-11-5-3-4-6-14(11)22-15(9)16(20)21-8-13(19)12(7-17)10(2)18/h3-6,12,18H,8H2,1-2H3/t12-/m1/s1