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

Systemtic Name: 5-[[(6S)-6-tert-butyl-3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[(6S)-6-tert-butyl-3-(2-furylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[(6S)-6-tert-butyl-3-[(2-furanylmethylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate IUPAC Name: 5-[[(6S)-6-tert-butyl-3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-[[(6S)-6-tert-butyl-3-(2-furfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-keto-valerate Formula: C23H29N2O5S- MolecularWeight: 445.55176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-23(2,3)14-9-10-16-17(12-14)31-22(25-18(26)7-4-8-19(27)28)20(16)21(29)24-13-15-6-5-11-30-15/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,24,29)(H,25,26)(H,27,28)/p-1/t14-/m0/s1