(2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-butanamide CAS Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-4-(methylthio)butyramide Formula: C20H22FN3O4S3 MolecularWeight: 483.599783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](CCSC)NS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H22FN3O4S3/c1-3-28-13-8-9-15-17(12-13)30-20(22-15)23-19(25)16(10-11-29-2)24-31(26,27)18-7-5-4-6-14(18)21/h4-9,12,16,24H,3,10-11H2,1-2H3,(H,22,23,25)/t16-/m0/s1