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

Systemtic Name: ethyl 2-[2-[(4-aminocarbonylphenyl)methyl-cyclopropyl-amino]ethanoylamino]-4-methyl-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-carbamoylphenyl)methyl-cyclopropyl-amino]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]-1-oxoethyl]amino]-4-methyl-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-carbamoylbenzyl)-cyclopropyl-amino]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-3-34-27(33)23-17(2)24(19-7-5-4-6-8-19)35-26(23)29-22(31)16-30(21-13-14-21)15-18-9-11-20(12-10-18)25(28)32/h4-12,21H,3,13-16H2,1-2H3,(H2,28,32)(H,29,31)