ethyl 2-(6-azanyl-5-oxidanylidene-1,4-thiazepan-4-yl)ethanoate

Systemtic Name: ethyl 2-(6-azanyl-5-oxidanylidene-1,4-thiazepan-4-yl)ethanoate Openeye Name: ethyl 2-(6-amino-5-oxo-1,4-thiazepan-4-yl)acetate CAS Name: 2-(6-amino-5-oxo-1,4-thiazepan-4-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(6-amino-5-oxo-1,4-thiazepan-4-yl)acetate Traditional Name: 2-(6-amino-5-keto-1,4-thiazepan-4-yl)acetic acid ethyl ester Formula: C9H16N2O3S MolecularWeight: 232.29994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCSCC(C1=O)N

Isomeric SMILES

CCOC(=O)CN1CCSCC(C1=O)N

InChI

InChI=1S/C9H16N2O3S/c1-2-14-8(12)5-11-3-4-15-6-7(10)9(11)13/h7H,2-6,10H2,1H3