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

Systemtic Name: 5-[(3-butan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-oxo-5-[(3-sec-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]pentanoic acid CAS Name: 5-[[3-[butan-2-yloxy(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-[(3-butan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[(3-sec-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]valeric acid Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCC(=O)O

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCC(=O)O

InChI

InChI=1S/C18H25NO5S/c1-3-11(2)24-18(23)16-12-7-4-5-8-13(12)25-17(16)19-14(20)9-6-10-15(21)22/h11H,3-10H2,1-2H3,(H,19,20)(H,21,22)