4-ethylsulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-ethylsulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-ethylsulfonyl-benzamide CAS Name: 4-ethylsulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-ethylsulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-esyl-benzamide Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC=C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC=C

InChI

InChI=1S/C19H17N3O5S2/c1-3-11-21-16-10-7-14(22(24)25)12-17(16)28-19(21)20-18(23)13-5-8-15(9-6-13)29(26,27)4-2/h3,5-10,12H,1,4,11H2,2H3