5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-oxo-pentanoate CAS Name: 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoate IUPAC Name: 5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoate Traditional Name: 5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-keto-valerate Formula: C14H15N2O3S- MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCC(=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCC(=O)[O-])C#N

InChI

InChI=1S/C14H16N2O3S/c15-8-10-9-4-1-2-5-11(9)20-14(10)16-12(17)6-3-7-13(18)19/h1-7H2,(H,16,17)(H,18,19)/p-1