methyl 2-[2-[bis(phenylmethyl)amino]ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[bis(phenylmethyl)amino]ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(dibenzylamino)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-[bis(phenylmethyl)amino]-1-oxoethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(dibenzylamino)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(dibenzylamino)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid methyl ester Formula: C29H28N2O4S MolecularWeight: 500.60862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O4S/c1-34-24-15-13-23(14-16-24)25-20-36-28(27(25)29(33)35-2)30-26(32)19-31(17-21-9-5-3-6-10-21)18-22-11-7-4-8-12-22/h3-16,20H,17-19H2,1-2H3,(H,30,32)