tert-butyl 2-(5-oxidanylidene-4,6,7,8-tetrahydrothieno[3,2-b]azepin-8-yl)ethanoate

Systemtic Name: tert-butyl 2-(5-oxidanylidene-4,6,7,8-tetrahydrothieno[3,2-b]azepin-8-yl)ethanoate Openeye Name: tert-butyl 2-(5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-8-yl)acetate CAS Name: 2-(5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-8-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-8-yl)acetate Traditional Name: 2-(5-keto-4,6,7,8-tetrahydrothien[3,2-b]azepin-8-yl)acetic acid tert-butyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1CCC(=O)NC2=C1SC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CC1CCC(=O)NC2=C1SC=C2

InChI

InChI=1S/C14H19NO3S/c1-14(2,3)18-12(17)8-9-4-5-11(16)15-10-6-7-19-13(9)10/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)