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

Systemtic Name: 5-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-oxo-pentanoic acid CAS Name: 5-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 5-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[(6-tert-butyl-3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-keto-valeric acid Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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