(2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

Systemtic Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide Openeye Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-(2-thienylsulfonylamino)butanamide CAS Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide IUPAC Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide Traditional Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-2-(2-thienylsulfonylamino)butyramide Formula: C18H21N3O4S3 MolecularWeight: 439.57204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C(C)C)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O4S3/c1-4-25-12-7-8-13-14(10-12)27-18(19-13)20-17(22)16(11(2)3)21-28(23,24)15-6-5-9-26-15/h5-11,16,21H,4H2,1-3H3,(H,19,20,22)/t16-/m0/s1