N-[(2R,3S)-5-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-4-chloranyl-benzamide

Systemtic Name: N-[(2R,3S)-5-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-4-chloranyl-benzamide Openeye Name: N-[(2R,3S)-5-(2-amino-2-oxo-ethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-4-chloro-benzamide CAS Name: N-[(2R,3S)-5-(2-amino-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-4-chlorobenzamide IUPAC Name: N-[(2R,3S)-5-(2-amino-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-4-chlorobenzamide Traditional Name: N-[(2R,3S)-5-(2-amino-2-keto-ethyl)-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-4-chloro-benzamide Formula: C24H20ClN3O3S MolecularWeight: 465.9519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CC(=O)N)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N(C3=CC=CC=C3S2)CC(=O)N)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H20ClN3O3S/c25-17-12-10-16(11-13-17)23(30)27-21-22(15-6-2-1-3-7-15)32-19-9-5-4-8-18(19)28(24(21)31)14-20(26)29/h1-13,21-22H,14H2,(H2,26,29)(H,27,30)/t21-,22-/m1/s1