2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2S1)CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

C1C(C(=O)N(C2=CC=CC=C2S1)CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C26H22N2O5S/c29-24(30)13-28-22-11-5-6-12-23(22)34-15-21(25(28)31)27-26(32)33-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-12,20-21H,13-15H2,(H,27,32)(H,29,30)