ethyl 5-[[3-(aminocarbonylamino)-3-(2-methylphenyl)propanoyl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[[3-(aminocarbonylamino)-3-(2-methylphenyl)propanoyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[3-(o-tolyl)-3-ureido-propanoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[3-(carbamoylamino)-3-(2-methylphenyl)-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[3-(o-tolyl)-3-ureido-propanoyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CC(C3=CC=CC=C3C)NC(=O)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CC(C3=CC=CC=C3C)NC(=O)N

InChI

InChI=1S/C22H23N3O4S/c1-3-29-21(27)19-11-14-10-15(8-9-18(14)30-19)24-20(26)12-17(25-22(23)28)16-7-5-4-6-13(16)2/h4-11,17H,3,12H2,1-2H3,(H,24,26)(H3,23,25,28)