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

Systemtic Name: tert-butyl N-methyl-N-[2-[3-[(3R)-6-oxidanyl-3,4-dihydro-2H-chromen-3-yl]-2-sulfanylidene-1H-imidazol-4-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[3-[(3R)-6-hydroxychroman-3-yl]-2-thioxo-1H-imidazol-4-yl]ethyl]-N-methyl-carbamate CAS Name: N-[2-[3-[(3R)-6-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]-2-sulfanylidene-1H-imidazol-4-yl]ethyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[3-[(3R)-6-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-sulfanylidene-1H-imidazol-4-yl]ethyl]-N-methylcarbamate Traditional Name: N-[2-[3-[(3R)-6-hydroxychroman-3-yl]-2-thioxo-4-imidazolin-4-yl]ethyl]-N-methyl-carbamic acid tert-butyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CCC1=CNC(=S)N1C2CC3=C(C=CC(=C3)O)OC2

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CCC1=CNC(=S)N1[C@@H]2CC3=C(C=CC(=C3)O)OC2

InChI

InChI=1S/C20H27N3O4S/c1-20(2,3)27-19(25)22(4)8-7-14-11-21-18(28)23(14)15-9-13-10-16(24)5-6-17(13)26-12-15/h5-6,10-11,15,24H,7-9,12H2,1-4H3,(H,21,28)/t15-/m1/s1