2-[2-oxidanylidene-3-(sulfanylmethyl)-3,4,5,6-tetrahydro-1-benzazocin-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-(sulfanylmethyl)-3,4,5,6-tetrahydro-1-benzazocin-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-3-(sulfanylmethyl)-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid CAS Name: 2-[3-(mercaptomethyl)-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid IUPAC Name: 2-[2-oxo-3-(sulfanylmethyl)-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-(mercaptomethyl)-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C2=CC=CC=C2C1)CC(=O)O)CS

Isomeric SMILES

C1CC(C(=O)N(C2=CC=CC=C2C1)CC(=O)O)CS

InChI

InChI=1S/C14H17NO3S/c16-13(17)8-15-12-7-2-1-4-10(12)5-3-6-11(9-19)14(15)18/h1-2,4,7,11,19H,3,5-6,8-9H2,(H,16,17)