(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(5-methylthiazol-2-yl)butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(5-methyl-2-thiazolyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(5-methylthiazol-2-yl)-4-(methylthio)butyramide Formula: C17H21N3O5S3 MolecularWeight: 443.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CN=C(S1)NC(=O)[C@H](CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H21N3O5S3/c1-11-10-18-17(27-11)19-16(21)13(5-8-26-2)20-28(22,23)12-3-4-14-15(9-12)25-7-6-24-14/h3-4,9-10,13,20H,5-8H2,1-2H3,(H,18,19,21)/t13-/m0/s1