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

Systemtic Name: 5-[[(6S)-3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[(6S)-3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[(6S)-3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[(6S)-3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[(6S)-3-carbethoxy-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-keto-valeric acid Formula: C22H25NO5S MolecularWeight: 415.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C3=CC=CC=C3)NC(=O)CCCC(=O)O

InChI

InChI=1S/C22H25NO5S/c1-2-28-22(27)20-16-12-11-15(14-7-4-3-5-8-14)13-17(16)29-21(20)23-18(24)9-6-10-19(25)26/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,23,24)(H,25,26)/t15-/m0/s1