N-[6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-[[(E)-3-(3-nitrophenyl)acryloyl]amino]-1,3-benzothiazol-2-yl]-2-furamide Formula: C21H14N4O5S MolecularWeight: 434.42466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H14N4O5S/c26-19(9-6-13-3-1-4-15(11-13)25(28)29)22-14-7-8-16-18(12-14)31-21(23-16)24-20(27)17-5-2-10-30-17/h1-12H,(H,22,26)(H,23,24,27)/b9-6+