2-[(2R,3S)-3-azanyl-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide

Systemtic Name: 2-[(2R,3S)-3-azanyl-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: 2-[(2R,3S)-3-amino-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: 2-[(2R,3S)-3-amino-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: 2-[(2R,3S)-3-amino-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: 2-[(2R,3S)-3-amino-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C17H17N3O2S MolecularWeight: 327.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CC(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N(C3=CC=CC=C3S2)CC(=O)N)N

InChI

InChI=1S/C17H17N3O2S/c18-14(21)10-20-12-8-4-5-9-13(12)23-16(15(19)17(20)22)11-6-2-1-3-7-11/h1-9,15-16H,10,19H2,(H2,18,21)/t15-,16-/m1/s1