ethyl 2-(3-benzamidopropanoylamino)-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3-benzamidopropanoylamino)-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(3-benzamidopropanoylamino)-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[(3-benzamido-1-oxopropyl)amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-benzamidopropanoylamino)-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-(3-benzamidopropanoylamino)-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-4-28-20(27)15-12(2)16(18(26)21-3)29-19(15)23-14(24)10-11-22-17(25)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,21,26)(H,22,25)(H,23,24)