4-[(7,8-dimethoxy-1-oxidanylidene-isothiochromen-3-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[(7,8-dimethoxy-1-oxidanylidene-isothiochromen-3-yl)carbonylamino]butanoic acid Openeye Name: 4-[(7,8-dimethoxy-1-oxo-isothiochromene-3-carbonyl)amino]butanoic acid CAS Name: 4-[[(7,8-dimethoxy-1-oxo-2-benzothiopyran-3-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(7,8-dimethoxy-1-oxoisothiochromene-3-carbonyl)amino]butanoic acid Traditional Name: 4-[(1-keto-7,8-dimethoxy-isothiochromene-3-carbonyl)amino]butyric acid Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NCCCC(=O)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NCCCC(=O)O)OC

InChI

InChI=1S/C16H17NO6S/c1-22-10-6-5-9-8-11(15(20)17-7-3-4-12(18)19)24-16(21)13(9)14(10)23-2/h5-6,8H,3-4,7H2,1-2H3,(H,17,20)(H,18,19)