ethyl 2-[2-[(2-azanyl-2-oxidanylidene-ethyl)-(2-methylpropyl)amino]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2-azanyl-2-oxidanylidene-ethyl)-(2-methylpropyl)amino]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2-amino-2-oxo-ethyl)-isobutyl-amino]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(2-amino-2-keto-ethyl)-isobutyl-amino]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CN(CC(C)C)CC(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CN(CC(C)C)CC(=O)N

InChI

InChI=1S/C22H29N3O4S/c1-5-29-22(28)20-19(16-9-7-6-8-10-16)15(4)30-21(20)24-18(27)13-25(11-14(2)3)12-17(23)26/h6-10,14H,5,11-13H2,1-4H3,(H2,23,26)(H,24,27)