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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzothiophene-2-carboxamide Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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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(=CC=C3)[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(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H20ClN3O4S/c1-22(2,3)25-21(28)20-18(23)15-8-5-9-16(19(15)31-20)24-17(27)11-10-13-6-4-7-14(12-13)26(29)30/h4-12H,1-3H3,(H,24,27)(H,25,28)/b11-10+