[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5R)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C17H20N2O3S/c1-3-11-4-5-15-12(6-11)7-16(23-15)17(21)22-9-14(20)13(8-18)10(2)19/h7,11,13,19H,3-6,9H2,1-2H3/t11-,13-/m1/s1