ethyl 4-methyl-5-(methylcarbamoyl)-2-[3-(2-phenylethanoylamino)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[3-(2-phenylethanoylamino)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[3-[(2-phenylacetyl)amino]propanoylamino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[1-oxo-3-[(1-oxo-2-phenylethyl)amino]propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[3-[(2-phenylacetyl)amino]propanoylamino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(methylcarbamoyl)-2-[3-[(2-phenylacetyl)amino]propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CCNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CCNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O5S/c1-4-29-21(28)17-13(2)18(19(27)22-3)30-20(17)24-15(25)10-11-23-16(26)12-14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3,(H,22,27)(H,23,26)(H,24,25)