N-[2-oxidanylidene-5-(4-oxidanylidene-5-phenethyl-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-ium-5-yl)oxolan-3-yl]methanamide

Systemtic Name: N-[2-oxidanylidene-5-(4-oxidanylidene-5-phenethyl-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-ium-5-yl)oxolan-3-yl]methanamide Openeye Name: N-[2-oxo-5-(4-oxo-5-phenethyl-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-ium-5-yl)tetrahydrofuran-3-yl]formamide CAS Name: N-[2-oxo-5-(4-oxo-5-phenethyl-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-ium-5-yl)-3-oxolanyl]formamide IUPAC Name: N-[2-oxo-5-(4-oxo-5-phenethyl-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-ium-5-yl)oxolan-3-yl]formamide Traditional Name: N-[2-keto-5-(4-keto-5-phenethyl-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-ium-5-yl)tetrahydrofuran-3-yl]formamide Formula: C28H27N2O4S+ MolecularWeight: 487.58998

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)OC1[N+]2(C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4)CCC5=CC=CC=C5)NC=O

Isomeric SMILES

C1C(C(=O)OC1[N+]2(C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4)CCC5=CC=CC=C5)NC=O

InChI

InChI=1S/C28H26N2O4S/c31-19-29-22-17-27(34-28(22)33)30(16-15-20-9-3-1-4-10-20)23-13-7-8-14-24(23)35-25(18-26(30)32)21-11-5-2-6-12-21/h1-14,19,22,25,27H,15-18H2/p+1