ethyl N-[(1R,2R)-1-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-inden-2-yl]carbamate

Systemtic Name: ethyl N-[(1R,2R)-1-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-inden-2-yl]carbamate Openeye Name: ethyl N-[(1R,2R)-1-pyrimidin-2-ylsulfanylindan-2-yl]carbamate CAS Name: N-[(1R,2R)-1-(2-pyrimidinylthio)-2,3-dihydro-1H-inden-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(1R,2R)-1-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-inden-2-yl]carbamate Traditional Name: N-[(1R,2R)-1-(2-pyrimidylthio)indan-2-yl]carbamic acid ethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1CC2=CC=CC=C2C1SC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)N[C@@H]1CC2=CC=CC=C2[C@H]1SC3=NC=CC=N3

InChI

InChI=1S/C16H17N3O2S/c1-2-21-16(20)19-13-10-11-6-3-4-7-12(11)14(13)22-15-17-8-5-9-18-15/h3-9,13-14H,2,10H2,1H3,(H,19,20)/t13-,14-/m1/s1