[2-[(3S)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [2-[(3S)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-[(3S)-3-methyl-2-oxo-indolin-5-yl]-2-oxo-ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-keto-2-[(3S)-2-keto-3-methyl-indolin-5-yl]ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)C(=O)COC(=O)C3=CC4=C(C=C3)SCCC(=O)N4)NC1=O

Isomeric SMILES

C[C@H]1C2=C(C=CC(=C2)C(=O)COC(=O)C3=CC4=C(C=C3)SCCC(=O)N4)NC1=O

InChI

InChI=1S/C21H18N2O5S/c1-11-14-8-12(2-4-15(14)23-20(11)26)17(24)10-28-21(27)13-3-5-18-16(9-13)22-19(25)6-7-29-18/h2-5,8-9,11H,6-7,10H2,1H3,(H,22,25)(H,23,26)/t11-/m0/s1