4-[[(6S)-6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(6S)-6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(6S)-6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(6S)-6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(6S)-6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(6S)-6-tert-butyl-3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyrate Formula: C19H26NO5S- MolecularWeight: 380.47844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C(C)(C)C)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H27NO5S/c1-5-25-18(24)16-12-7-6-11(19(2,3)4)10-13(12)26-17(16)20-14(21)8-9-15(22)23/h11H,5-10H2,1-4H3,(H,20,21)(H,22,23)/p-1/t11-/m0/s1