ethyl 5-[2-[furan-2-ylmethyl-(phenylmethyl)amino]ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[furan-2-ylmethyl-(phenylmethyl)amino]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[benzyl(2-furylmethyl)amino]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[2-furanylmethyl-(phenylmethyl)amino]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[benzyl(furan-2-ylmethyl)amino]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[benzyl(2-furfuryl)amino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN(CC2=CC=CC=C2)CC3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN(CC2=CC=CC=C2)CC3=CC=CO3)C

InChI

InChI=1S/C22H24N2O4S/c1-3-27-22(26)21-16(2)12-20(29-21)23-19(25)15-24(14-18-10-7-11-28-18)13-17-8-5-4-6-9-17/h4-12H,3,13-15H2,1-2H3,(H,23,25)