N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-N-[(4S)-thiochroman-4-yl]-1H-pyrrole-2-carboxamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Traditional Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-N-[(4S)-thiochroman-4-yl]-1H-pyrrole-2-carboxamide Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)O)C)C(=O)NC2CCSC3=CC=CC=C23

Isomeric SMILES

CC1=C(NC(=C1[C@H](C)O)C)C(=O)N[C@H]2CCSC3=CC=CC=C23

InChI

InChI=1S/C18H22N2O2S/c1-10-16(12(3)21)11(2)19-17(10)18(22)20-14-8-9-23-15-7-5-4-6-13(14)15/h4-7,12,14,19,21H,8-9H2,1-3H3,(H,20,22)/t12-,14-/m0/s1