(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea CAS Name: N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methyl]-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC(C)COC)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=N[C@H](C)COC)N

InChI

InChI=1S/C17H22N2O3S/c1-4-12-5-6-14-13(8-16(20)22-15(14)7-12)10-23-17(18)19-11(2)9-21-3/h5-8,11H,4,9-10H2,1-3H3,(H2,18,19)/t11-/m1/s1