5-[[(6S)-3-(furan-2-ylmethylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[(6S)-3-(furan-2-ylmethylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[(6S)-3-(2-furylmethylcarbamoyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[(6S)-3-[(2-furanylmethylamino)-oxomethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate IUPAC Name: 5-[[(6S)-3-(furan-2-ylmethylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-[[(6S)-3-(2-furfurylcarbamoyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-keto-valerate Formula: C20H23N2O5S- MolecularWeight: 403.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C20H24N2O5S/c1-12-7-8-14-15(10-12)28-20(22-16(23)5-2-6-17(24)25)18(14)19(26)21-11-13-4-3-9-27-13/h3-4,9,12H,2,5-8,10-11H2,1H3,(H,21,26)(H,22,23)(H,24,25)/p-1/t12-/m0/s1