2-[(2R,3R)-3-azanyl-8-chloranyl-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide

Systemtic Name: 2-[(2R,3R)-3-azanyl-8-chloranyl-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: 2-[(2R,3R)-3-amino-8-chloro-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: 2-[(2R,3R)-3-amino-8-chloro-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: 2-[(2R,3R)-3-amino-8-chloro-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: 2-[(2R,3R)-3-amino-8-chloro-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CC(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N(C3=C(S2)C=C(C=C3)Cl)CC(=O)N)N

InChI

InChI=1S/C17H16ClN3O2S/c18-11-6-7-12-13(8-11)24-16(10-4-2-1-3-5-10)15(20)17(23)21(12)9-14(19)22/h1-8,15-16H,9,20H2,(H2,19,22)/t15-,16+/m0/s1