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

Systemtic Name: 4-[[(6S)-3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(6S)-3-cyano-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(6S)-3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(6S)-3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(6S)-3-cyano-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyric acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC(=O)O

Isomeric SMILES

CCC[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC(=O)O

InChI

InChI=1S/C16H20N2O3S/c1-2-3-10-4-5-11-12(9-17)16(22-13(11)8-10)18-14(19)6-7-15(20)21/h10H,2-8H2,1H3,(H,18,19)(H,20,21)/t10-/m0/s1