ethyl 2-[2-[1-cyclopropylethyl-(phenylmethyl)amino]ethanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[1-cyclopropylethyl-(phenylmethyl)amino]ethanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-2-[[2-[1-cyclopropylethyl-(phenylmethyl)amino]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CN(CC3=CC=CC=C3)C(C)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CN(CC3=CC=CC=C3)C(C)C4CC4

InChI

InChI=1S/C29H33N3O4S/c1-4-36-29(35)25-19(2)26(27(34)30-23-13-9-6-10-14-23)37-28(25)31-24(33)18-32(20(3)22-15-16-22)17-21-11-7-5-8-12-21/h5-14,20,22H,4,15-18H2,1-3H3,(H,30,34)(H,31,33)