N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide CAS Name: N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-benzylsulfonyl-N-[6-ethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butyramide Formula: C23H28N2O4S3 MolecularWeight: 492.67442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C23H28N2O4S3/c1-3-29-19-11-12-20-21(16-19)31-23(25(20)13-14-30-2)24-22(26)10-7-15-32(27,28)17-18-8-5-4-6-9-18/h4-6,8-9,11-12,16H,3,7,10,13-15,17H2,1-2H3