N-tert-butyl-3-chloranyl-7-[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[[(E)-3-[5-(2-nitrophenyl)-2-furyl]prop-2-enoyl]amino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[(E)-3-[5-(2-nitrophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[[(E)-3-[5-(2-nitrophenyl)-2-furyl]acryloyl]amino]benzothiophene-2-carboxamide Formula: C26H22ClN3O5S MolecularWeight: 523.98798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)C=CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])Cl

InChI

InChI=1S/C26H22ClN3O5S/c1-26(2,3)29-25(32)24-22(27)17-8-6-9-18(23(17)36-24)28-21(31)14-12-15-11-13-20(35-15)16-7-4-5-10-19(16)30(33)34/h4-14H,1-3H3,(H,28,31)(H,29,32)/b14-12+