(6-naphthalen-1-ylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) pyridine-4-carboxylate

Systemtic Name: (6-naphthalen-1-ylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) pyridine-4-carboxylate Openeye Name: [6-(1-naphthyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [6-(1-naphthalenyl)-7-pyrrolo[2,1-d][1,5]benzothiazepinyl] ester IUPAC Name: (6-naphthalen-1-ylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl) pyridine-4-carboxylate Traditional Name: isonicotinic acid [6-(1-naphthyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester Formula: C28H18N2O2S MolecularWeight: 446.51972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=C(C4=CC=CN4C5=CC=CC=C5S3)OC(=O)C6=CC=NC=C6

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=C(C4=CC=CN4C5=CC=CC=C5S3)OC(=O)C6=CC=NC=C6

InChI

InChI=1S/C28H18N2O2S/c31-28(20-14-16-29-17-15-20)32-26-24-12-6-18-30(24)23-11-3-4-13-25(23)33-27(26)22-10-5-8-19-7-1-2-9-21(19)22/h1-18H