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

Systemtic Name: 5-[[(6R)-3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[(6R)-3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[(6R)-3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate IUPAC Name: 5-[[(6R)-3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-[[(6R)-3-carbomethoxy-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-keto-valerate Formula: C21H22NO5S- MolecularWeight: 400.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-27-21(26)19-15-11-10-14(13-6-3-2-4-7-13)12-16(15)28-20(19)22-17(23)8-5-9-18(24)25/h2-4,6-7,14H,5,8-12H2,1H3,(H,22,23)(H,24,25)/p-1/t14-/m1/s1