2-(4-methoxyphenyl)-3-(4-nitrophenoxy)-4-phenyl-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 2-(4-methoxyphenyl)-3-(4-nitrophenoxy)-4-phenyl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 2-(4-methoxyphenyl)-3-(4-nitrophenoxy)-4-phenyl-2,5-dihydro-1,5-benzothiazepine CAS Name: 2-(4-methoxyphenyl)-3-(4-nitrophenoxy)-4-phenyl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 2-(4-methoxyphenyl)-3-(4-nitrophenoxy)-4-phenyl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 2-(4-methoxyphenyl)-3-(4-nitrophenoxy)-4-phenyl-2,5-dihydro-1,5-benzothiazepine Formula: C28H22N2O4S MolecularWeight: 482.55028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=C(NC3=CC=CC=C3S2)C4=CC=CC=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2C(=C(NC3=CC=CC=C3S2)C4=CC=CC=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H22N2O4S/c1-33-22-15-11-20(12-16-22)28-27(34-23-17-13-21(14-18-23)30(31)32)26(19-7-3-2-4-8-19)29-24-9-5-6-10-25(24)35-28/h2-18,28-29H,1H3