4-[(2,2-dimethyl-5-oxidanylidene-7-pentyl-3H-thiochromen-4-yl)amino]butanoic acid

Systemtic Name: 4-[(2,2-dimethyl-5-oxidanylidene-7-pentyl-3H-thiochromen-4-yl)amino]butanoic acid Openeye Name: 4-[(2,2-dimethyl-5-oxo-7-pentyl-3H-thiochromen-4-yl)amino]butanoic acid CAS Name: 4-[(2,2-dimethyl-5-oxo-7-pentyl-3H-1-benzothiopyran-4-yl)amino]butanoic acid IUPAC Name: 4-[(2,2-dimethyl-5-oxo-7-pentyl-3H-thiochromen-4-yl)amino]butanoic acid Traditional Name: 4-[(7-amyl-5-keto-2,2-dimethyl-3H-thiochromen-4-yl)amino]butyric acid Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=O)C2=C(CC(SC2=C1)(C)C)NCCCC(=O)O

Isomeric SMILES

CCCCCC1=CC(=O)C2=C(CC(SC2=C1)(C)C)NCCCC(=O)O

InChI

InChI=1S/C20H29NO3S/c1-4-5-6-8-14-11-16(22)19-15(21-10-7-9-18(23)24)13-20(2,3)25-17(19)12-14/h11-12,21H,4-10,13H2,1-3H3,(H,23,24)