7-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]heptanoic acid

Systemtic Name: 7-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]heptanoic acid Openeye Name: 7-[[(6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]heptanoic acid CAS Name: 7-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]heptanoic acid Traditional Name: 7-[[(6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]enanthic acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NCCCCCCC(=O)O

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC=C2C(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C17H25NO3S/c1-12-7-8-13-14(11-22-15(13)10-12)17(21)18-9-5-3-2-4-6-16(19)20/h11-12H,2-10H2,1H3,(H,18,21)(H,19,20)/t12-/m0/s1