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

Systemtic Name: ethyl 2-(6-benzamido-5-oxidanylidene-1,4-thiazepan-4-yl)ethanoate Openeye Name: ethyl 2-(6-benzamido-5-oxo-1,4-thiazepan-4-yl)acetate CAS Name: 2-(6-benzamido-5-oxo-1,4-thiazepan-4-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(6-benzamido-5-oxo-1,4-thiazepan-4-yl)acetate Traditional Name: 2-(6-benzamido-5-keto-1,4-thiazepan-4-yl)acetic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCSCC(C1=O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CN1CCSCC(C1=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O4S/c1-2-22-14(19)10-18-8-9-23-11-13(16(18)21)17-15(20)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,20)