ethyl 4-(furan-2-yl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(furan-2-yl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-furyl)-2-[[2-(o-tolylmethylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-furanyl)-2-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-yl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-furyl)-2-[[2-[(2-methylbenzyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CSCC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CSCC3=CC=CC=C3C

InChI

InChI=1S/C21H21NO4S2/c1-3-25-21(24)19-16(17-9-6-10-26-17)12-28-20(19)22-18(23)13-27-11-15-8-5-4-7-14(15)2/h4-10,12H,3,11,13H2,1-2H3,(H,22,23)