2-methoxyethyl 5-aminocarbonyl-4-methyl-2-[2-[(phenylmethyl)-propan-2-yl-amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: 2-methoxyethyl 5-aminocarbonyl-4-methyl-2-[2-[(phenylmethyl)-propan-2-yl-amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: 2-methoxyethyl 2-[[2-[benzyl(isopropyl)amino]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl]amino]-3-thiophenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[benzyl(isopropyl)amino]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CN(CC2=CC=CC=C2)C(C)C)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)CN(CC2=CC=CC=C2)C(C)C)C(=O)N

InChI

InChI=1S/C22H29N3O5S/c1-14(2)25(12-16-8-6-5-7-9-16)13-17(26)24-21-18(22(28)30-11-10-29-4)15(3)19(31-21)20(23)27/h5-9,14H,10-13H2,1-4H3,(H2,23,27)(H,24,26)