2-[(3S)-3-acetamido-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(6-azanyl-2-methyl-pyridin-3-yl)methyl]ethanamide

Systemtic Name: 2-[(3S)-3-acetamido-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(6-azanyl-2-methyl-pyridin-3-yl)methyl]ethanamide Openeye Name: 2-[(3S)-3-acetamido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(6-amino-2-methyl-3-pyridyl)methyl]acetamide CAS Name: 2-[(3S)-3-acetamido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(6-amino-2-methyl-3-pyridinyl)methyl]acetamide IUPAC Name: 2-[(3S)-3-acetamido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(6-amino-2-methylpyridin-3-yl)methyl]acetamide Traditional Name: 2-[(3S)-3-acetamido-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(6-amino-2-methyl-3-pyridyl)methyl]acetamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)N)CNC(=O)CN2C3=CC=CC=C3SCC(C2=O)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=N1)N)CNC(=O)CN2C3=CC=CC=C3SC[C@H](C2=O)NC(=O)C

InChI

InChI=1S/C20H23N5O3S/c1-12-14(7-8-18(21)23-12)9-22-19(27)10-25-16-5-3-4-6-17(16)29-11-15(20(25)28)24-13(2)26/h3-8,15H,9-11H2,1-2H3,(H2,21,23)(H,22,27)(H,24,26)/t15-/m1/s1