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

Systemtic Name: 5-(5-oxidanylidene-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)pentanoate Openeye Name: 5-(5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)pentanoate CAS Name: 5-(5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)pentanoate IUPAC Name: 5-(5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)pentanoate Traditional Name: 5-(5-keto-4,6,7,8-tetrahydrothien[3,2-b]azepin-2-yl)valerate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(S2)CCCCC(=O)[O-])NC(=O)C1

Isomeric SMILES

C1CC2=C(C=C(S2)CCCCC(=O)[O-])NC(=O)C1

InChI

InChI=1S/C13H17NO3S/c15-12-6-3-5-11-10(14-12)8-9(18-11)4-1-2-7-13(16)17/h8H,1-7H2,(H,14,15)(H,16,17)/p-1