butyl 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-methyl-2-furyl)acryloyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C=CC3=CC=C(O3)C

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)/C=C/C3=CC=C(O3)C

InChI

InChI=1S/C21H21NO4S/c1-3-4-13-25-21(24)19-16-7-5-6-8-17(16)27-20(19)22-18(23)12-11-15-10-9-14(2)26-15/h5-12H,3-4,13H2,1-2H3,(H,22,23)/b12-11+