ethyl 2-[2-[bis(phenylmethyl)amino]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[bis(phenylmethyl)amino]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(dibenzylamino)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[bis(phenylmethyl)amino]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(dibenzylamino)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(dibenzylamino)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H30N2O3S MolecularWeight: 498.6358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H30N2O3S/c1-3-35-30(34)28-27(25-17-11-6-12-18-25)22(2)36-29(28)31-26(33)21-32(19-23-13-7-4-8-14-23)20-24-15-9-5-10-16-24/h4-18H,3,19-21H2,1-2H3,(H,31,33)