2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide

Systemtic Name: 2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide Openeye Name: 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-N-(2-thienylmethyl)butanamide CAS Name: 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-(methylthio)-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide Traditional Name: 2-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]-4-(methylthio)-N-(2-thenyl)butyramide Formula: C18H21N3O5S3 MolecularWeight: 455.57144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)NCC3=CC=CS3)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)NCC3=CC=CS3)OC1=O

InChI

InChI=1S/C18H21N3O5S3/c1-21-15-6-5-13(10-16(15)26-18(21)23)29(24,25)20-14(7-9-27-2)17(22)19-11-12-4-3-8-28-12/h3-6,8,10,14,20H,7,9,11H2,1-2H3,(H,19,22)