N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1,2-oxazole-5-carboxamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1,2-oxazole-5-carboxamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]isoxazole-5-carboxamide CAS Name: N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-isoxazolecarboxamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1,2-oxazole-5-carboxamide Traditional Name: N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]isoxazole-5-carboxamide Formula: C15H15N3O4S3 MolecularWeight: 397.4923

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=NO3

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=NO3

InChI

InChI=1S/C15H15N3O4S3/c1-23-8-7-18-11-4-3-10(25(2,20)21)9-13(11)24-15(18)17-14(19)12-5-6-16-22-12/h3-6,9H,7-8H2,1-2H3