(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Openeye Name: 2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea CAS Name: N'-[[(2R)-2-oxolanyl]methyl]carbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Traditional Name: 2-[(2-keto-7-methoxy-chromen-4-yl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NCC3CCCO3)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC[C@H]3CCCO3)N

InChI

InChI=1S/C17H20N2O4S/c1-21-12-4-5-14-11(7-16(20)23-15(14)8-12)10-24-17(18)19-9-13-3-2-6-22-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H2,18,19)/t13-/m1/s1