N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-5-methylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-5-methylsulfonyl-thiophene-2-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-5-methylsulfonyl-thiophene-2-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-5-methylsulfonyl-2-thiophenecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-5-methylsulfonylthiophene-2-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-5-mesyl-thiophene-2-carboxamide Formula: C20H20N2O3S4 MolecularWeight: 464.6444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)S(=O)(=O)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O3S4/c1-3-4-5-6-7-12-26-20-22-15-9-8-14(13-17(15)28-20)21-19(23)16-10-11-18(27-16)29(2,24)25/h8-11,13H,3-4,7,12H2,1-2H3,(H,21,23)