ethyl 2-[2-[bis(2-methylpropyl)amino]ethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[bis(2-methylpropyl)amino]ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(diisobutylamino)acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[bis(2-methylpropyl)amino]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[bis(2-methylpropyl)amino]acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(diisobutylamino)acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3S/c1-6-28-23(27)19-12-20(18-10-8-7-9-11-18)29-22(19)24-21(26)15-25(13-16(2)3)14-17(4)5/h7-12,16-17H,6,13-15H2,1-5H3,(H,24,26)