tert-butyl N-[[3-[(3R)-6-oxidanyl-3,4-dihydro-2H-chromen-3-yl]-2-sulfanylidene-1H-imidazol-4-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-[(3R)-6-oxidanyl-3,4-dihydro-2H-chromen-3-yl]-2-sulfanylidene-1H-imidazol-4-yl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[(3R)-6-hydroxychroman-3-yl]-2-thioxo-1H-imidazol-4-yl]methyl]carbamate CAS Name: N-[[3-[(3R)-6-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]-2-sulfanylidene-1H-imidazol-4-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[(3R)-6-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-sulfanylidene-1H-imidazol-4-yl]methyl]carbamate Traditional Name: N-[[3-[(3R)-6-hydroxychroman-3-yl]-2-thioxo-4-imidazolin-4-yl]methyl]carbamic acid tert-butyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CNC(=S)N1C2CC3=C(C=CC(=C3)O)OC2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CNC(=S)N1[C@@H]2CC3=C(C=CC(=C3)O)OC2

InChI

InChI=1S/C18H23N3O4S/c1-18(2,3)25-17(23)20-9-13-8-19-16(26)21(13)12-6-11-7-14(22)4-5-15(11)24-10-12/h4-5,7-8,12,22H,6,9-10H2,1-3H3,(H,19,26)(H,20,23)/t12-/m1/s1