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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Openeye Name: 2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea CAS Name: N'-[[(2R)-2-oxolanyl]methyl]carbamimidothioic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Traditional Name: 2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea Formula: C17H19ClN2O3S MolecularWeight: 366.86236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NCC3CCCO3)N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC[C@H]3CCCO3)N)Cl

InChI

InChI=1S/C17H19ClN2O3S/c1-10-5-15-13(7-14(10)18)11(6-16(21)23-15)9-24-17(19)20-8-12-3-2-4-22-12/h5-7,12H,2-4,8-9H2,1H3,(H2,19,20)/t12-/m1/s1