S-(7,7-dimethyl-4-oxidanylidene-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl) ethanethioate

Systemtic Name: S-(7,7-dimethyl-4-oxidanylidene-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl) ethanethioate Openeye Name: S-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl) ethanethioate CAS Name: ethanethioic acid S-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl) ester IUPAC Name: S-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl) ethanethioate Traditional Name: ethanethioic acid S-(4-keto-7,7-dimethyl-1,5,6,8-tetrahydroimidaz[4,5-c]azepin-2-yl) ester Formula: C11H15N3O2S MolecularWeight: 253.3207

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=NC2=C(N1)CC(CNC2=O)(C)C

Isomeric SMILES

CC(=O)SC1=NC2=C(N1)CC(CNC2=O)(C)C

InChI

InChI=1S/C11H15N3O2S/c1-6(15)17-10-13-7-4-11(2,3)5-12-9(16)8(7)14-10/h4-5H2,1-3H3,(H,12,16)(H,13,14)