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

Systemtic Name: ethyl 2-[(3S)-3-azanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[(3S)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[(3S)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-3-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[(3S)-3-amino-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SCC(C1=O)N

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC[C@H](C1=O)N

InChI

InChI=1S/C13H16N2O3S/c1-2-18-12(16)7-15-10-5-3-4-6-11(10)19-8-9(14)13(15)17/h3-6,9H,2,7-8,14H2,1H3/t9-/m1/s1