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

Systemtic Name: 5-(5-oxidanylidene-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)pentanoic acid Openeye Name: 5-(5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)pentanoic acid CAS Name: 5-(5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)pentanoic acid IUPAC Name: 5-(5-oxo-4,6,7,8-tetrahydrothieno[3,2-b]azepin-2-yl)pentanoic acid Traditional Name: 5-(5-keto-4,6,7,8-tetrahydrothien[3,2-b]azepin-2-yl)valeric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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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)