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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-2-12-5-6-14-15(10-12)28-20(22-16(23)7-8-17(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