ethyl 5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: ethyl 5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: ethyl 5-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]benzo[b][1,4]benzothiazepine-3-carboxylic acid ethyl ester Formula: C25H20N2O4S2 MolecularWeight: 476.5673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=C(OC(=N4)C5=CC=CS5)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=C(OC(=N4)C5=CC=CS5)C

InChI

InChI=1S/C25H20N2O4S2/c1-3-30-25(29)16-10-11-21-19(13-16)27(24(28)17-7-4-5-8-20(17)33-21)14-18-15(2)31-23(26-18)22-9-6-12-32-22/h4-13H,3,14H2,1-2H3