ethyl 5-(dimethylaminomethyl)-2-(furan-2-ylcarbonylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(dimethylaminomethyl)-2-(furan-2-ylcarbonylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylaminomethyl)-2-(furan-2-carbonylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-(dimethylaminomethyl)-2-[[2-furanyl(oxo)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylaminomethyl)-2-(furan-2-carbonylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 5-(dimethylaminomethyl)-2-(2-furoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)CN(C)C)NC(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)CN(C)C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H22N2O4S/c1-4-26-21(25)18-17(14-9-6-5-7-10-14)16(13-23(2)3)28-20(18)22-19(24)15-11-8-12-27-15/h5-12H,4,13H2,1-3H3,(H,22,24)