N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-(2-pyridylcarbamoyl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(2S)-4-(methylthio)-1-oxo-1-(2-pyridinylamino)butan-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[(1S)-3-(methylthio)-1-(2-pyridylcarbamoyl)propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC=N1)NC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=CC=N1)NC(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C19H21N3O4S/c1-27-11-9-13(18(23)22-17-8-4-5-10-20-17)21-19(24)16-12-25-14-6-2-3-7-15(14)26-16/h2-8,10,13,16H,9,11-12H2,1H3,(H,21,24)(H,20,22,23)/t13-,16?/m0/s1