[(2S,3S)-5-hexanoyl-4-oxidanylidene-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-3-yl] hexanoate

Systemtic Name: [(2S,3S)-5-hexanoyl-4-oxidanylidene-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-3-yl] hexanoate Openeye Name: [(2S,3S)-5-hexanoyl-4-oxo-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] hexanoate CAS Name: hexanoic acid [(2S,3S)-4-oxo-5-(1-oxohexyl)-2-(3-thiophenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2S,3S)-5-hexanoyl-4-oxo-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-3-yl] hexanoate Traditional Name: hexanoic acid [(2S,3S)-5-caproyl-4-keto-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C25H31NO4S2 MolecularWeight: 473.64794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C2=CC=CC=C2SC(C(C1=O)OC(=O)CCCCC)C3=CSC=C3

Isomeric SMILES

CCCCCC(=O)N1C2=CC=CC=C2S[C@H]([C@H](C1=O)OC(=O)CCCCC)C3=CSC=C3

InChI

InChI=1S/C25H31NO4S2/c1-3-5-7-13-21(27)26-19-11-9-10-12-20(19)32-24(18-15-16-31-17-18)23(25(26)29)30-22(28)14-8-6-4-2/h9-12,15-17,23-24H,3-8,13-14H2,1-2H3/t23-,24+/m1/s1