[(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoate

Systemtic Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoate Openeye Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid [(2-mercapto-1-oxo-3-phenylpropyl)amino] ester IUPAC Name: [(3-phenyl-2-sulfanylpropanoyl)amino] 2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetate Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid [(2-mercapto-3-phenyl-propanoyl)amino] ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(=O)C(CC3=CC=CC=C3)S

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(=O)C(CC3=CC=CC=C3)S

InChI

InChI=1S/C20H20N2O4S2/c23-18-10-11-28-17-9-5-4-8-15(17)22(18)13-19(24)26-21-20(25)16(27)12-14-6-2-1-3-7-14/h1-9,16,27H,10-13H2,(H,21,25)