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

Systemtic Name: 5-[[(6S)-3-methoxycarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[(6S)-6-(1,1-dimethylpropyl)-3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[(6S)-3-methoxycarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate IUPAC Name: 5-[[(6S)-3-methoxycarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-[[(6S)-6-tert-amyl-3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-keto-valerate Formula: C20H28NO5S- MolecularWeight: 394.50502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

CCC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C20H29NO5S/c1-5-20(2,3)12-9-10-13-14(11-12)27-18(17(13)19(25)26-4)21-15(22)7-6-8-16(23)24/h12H,5-11H2,1-4H3,(H,21,22)(H,23,24)/p-1/t12-/m0/s1