4-[(3-butoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-butoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[butoxy(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(3-butoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(3-butoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-butyric acid Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H23NO5S/c1-2-3-10-23-17(22)15-11-6-4-5-7-12(11)24-16(15)18-13(19)8-9-14(20)21/h2-10H2,1H3,(H,18,19)(H,20,21)