oxolan-2-ylmethyl 5-[(2,5-dimethylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: oxolan-2-ylmethyl 5-[(2,5-dimethylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: tetrahydrofuran-2-ylmethyl 5-[(2,5-dimethylphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(2,5-dimethylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 5-[(2,5-dimethylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-(2,5-dimethylbenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid tetrahydrofurfuryl ester Formula: C28H27NO4S MolecularWeight: 473.58328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)OCC4CCCO4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)OCC4CCCO4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C28H27NO4S/c1-18-9-10-19(2)21(14-18)16-29-24-15-20(28(31)33-17-22-6-5-13-32-22)11-12-26(24)34-25-8-4-3-7-23(25)27(29)30/h3-4,7-12,14-15,22H,5-6,13,16-17H2,1-2H3