(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2R)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thenoylamino)butyric acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H20ClNO5S/c1-11(2)16(21-18(22)15-4-3-5-27-15)19(23)25-9-13-7-14(20)6-12-8-24-10-26-17(12)13/h3-7,11,16H,8-10H2,1-2H3,(H,21,22)/t16-/m1/s1