(4-oxidanylidene-4-thiophen-2-yl-butyl) 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 3-(furan-2-carbonylamino)-4-methyl-benzoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-4-methylbenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 3-(furan-2-carbonylamino)-4-methylbenzoate Traditional Name: 3-(2-furoylamino)-4-methyl-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=CS2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=CS2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H19NO5S/c1-14-8-9-15(13-16(14)22-20(24)18-6-3-10-26-18)21(25)27-11-2-5-17(23)19-7-4-12-28-19/h3-4,6-10,12-13H,2,5,11H2,1H3,(H,22,24)