7-ethoxy-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-benzofuran-2-carboxamide

Systemtic Name: 7-ethoxy-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-benzofuran-2-carboxamide Openeye Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-7-ethoxy-benzofuran-2-carboxamide CAS Name: 7-ethoxy-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-benzofurancarboxamide IUPAC Name: 7-ethoxy-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-benzofuran-2-carboxamide Traditional Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-7-ethoxy-coumarilamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC=C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC=C

InChI

InChI=1S/C21H17N3O5S/c1-3-10-23-15-9-8-14(24(26)27)12-18(15)30-21(23)22-20(25)17-11-13-6-5-7-16(28-4-2)19(13)29-17/h3,5-9,11-12H,1,4,10H2,2H3