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

Systemtic Name: methyl 2-(6-azanyl-5-oxidanylidene-1,4-thiazepan-4-yl)ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C8H14N2O3S MolecularWeight: 218.27336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCSCC(C1=O)N

Isomeric SMILES

COC(=O)CN1CCSCC(C1=O)N

InChI

InChI=1S/C8H14N2O3S/c1-13-7(11)4-10-2-3-14-5-6(9)8(10)12/h6H,2-5,9H2,1H3