4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]thiophene-3-carboxamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4S/c1-14-18(13-15-6-3-2-4-7-15)30-22(20(14)21(23)27)24-19(26)11-10-16-8-5-9-17(12-16)25(28)29/h2-12H,13H2,1H3,(H2,23,27)(H,24,26)/b11-10+