N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]propanamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]propanamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]propanamide CAS Name: N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]propanamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]propionamide Formula: C14H18N2O3S3 MolecularWeight: 358.49932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)C)CCSC

Isomeric SMILES

CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)C)CCSC

InChI

InChI=1S/C14H18N2O3S3/c1-4-13(17)15-14-16(7-8-20-2)11-6-5-10(22(3,18)19)9-12(11)21-14/h5-6,9H,4,7-8H2,1-3H3