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

Systemtic Name: 2-[(2S,3S)-3-azanyl-4-oxidanylidene-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: 2-[(2S,3S)-3-amino-4-oxo-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: 2-[(2S,3S)-3-amino-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: 2-[(2S,3S)-3-amino-4-oxo-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: 2-[(2S,3S)-3-amino-4-keto-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C15H15N3O2S2 MolecularWeight: 333.4285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(C(S2)C3=CC=CS3)N)CC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)[C@@H]([C@H](S2)C3=CC=CS3)N)CC(=O)N

InChI

InChI=1S/C15H15N3O2S2/c16-12(19)8-18-9-4-1-2-5-10(9)22-14(13(17)15(18)20)11-6-3-7-21-11/h1-7,13-14H,8,17H2,(H2,16,19)/t13-,14-/m1/s1