methyl 3-(2-phenylimino-1,3-thiazepan-3-yl)propanoate

Systemtic Name: methyl 3-(2-phenylimino-1,3-thiazepan-3-yl)propanoate Openeye Name: methyl 3-(2-phenylimino-1,3-thiazepan-3-yl)propanoate CAS Name: 3-(2-phenylimino-1,3-thiazepan-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-phenylimino-1,3-thiazepan-3-yl)propanoate Traditional Name: 3-(2-phenylimino-1,3-thiazepan-3-yl)propionic acid methyl ester Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCCCSC1=NC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCN1CCCCSC1=NC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O2S/c1-19-14(18)9-11-17-10-5-6-12-20-15(17)16-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3