N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide Openeye Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)valeramide Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)C)CC#C

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)C)CC#C

InChI

InChI=1S/C16H18N2O3S2/c1-4-6-7-15(19)17-16-18(10-5-2)13-9-8-12(23(3,20)21)11-14(13)22-16/h2,8-9,11H,4,6-7,10H2,1,3H3