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

Systemtic Name: 5-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-oxo-pentanoic acid CAS Name: 5-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 5-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-keto-valeric acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCC(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCC(=O)O

InChI

InChI=1S/C16H20N2O3S/c1-2-10-6-7-11-12(9-17)16(22-13(11)8-10)18-14(19)4-3-5-15(20)21/h10H,2-8H2,1H3,(H,18,19)(H,20,21)