N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-methylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-methylsulfonyl-thiophene-2-carboxamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-methylsulfonyl-thiophene-2-carboxamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-5-methylsulfonyl-2-thiophenecarboxamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-methylsulfonylthiophene-2-carboxamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-5-mesyl-thiophene-2-carboxamide Formula: C19H20N2O5S4 MolecularWeight: 484.6325

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(S1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4OCCCO4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(S1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4OCCCO4

InChI

InChI=1S/C19H20N2O5S4/c1-30(23,24)17-6-5-14(28-17)18(22)20-12-3-4-13-15(11-12)29-19(21-13)27-10-7-16-25-8-2-9-26-16/h3-6,11,16H,2,7-10H2,1H3,(H,20,22)