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

Systemtic Name: 5-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-oxo-pentanoic acid CAS Name: 5-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 5-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[(3-carbomethoxy-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-keto-valeric acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCCC(=O)O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCCC(=O)O

InChI

InChI=1S/C21H23NO5S/c1-27-21(26)19-15-11-10-14(13-6-3-2-4-7-13)12-16(15)28-20(19)22-17(23)8-5-9-18(24)25/h2-4,6-7,14H,5,8-12H2,1H3,(H,22,23)(H,24,25)