methyl 2-[[3-[4-(thiophen-3-ylcarbonylamino)butanoylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[3-[4-(thiophen-3-ylcarbonylamino)butanoylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[3-[4-(thiophene-3-carbonylamino)butanoylamino]benzoyl]amino]acetate CAS Name: 2-[[oxo-[3-[[1-oxo-4-[[oxo(3-thiophenyl)methyl]amino]butyl]amino]phenyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-[4-(thiophene-3-carbonylamino)butanoylamino]benzoyl]amino]acetate Traditional Name: 2-[[3-[4-(3-thenoylamino)butanoylamino]benzoyl]amino]acetic acid methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC(=CC=C1)NC(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

COC(=O)CNC(=O)C1=CC(=CC=C1)NC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C19H21N3O5S/c1-27-17(24)11-21-18(25)13-4-2-5-15(10-13)22-16(23)6-3-8-20-19(26)14-7-9-28-12-14/h2,4-5,7,9-10,12H,3,6,8,11H2,1H3,(H,20,26)(H,21,25)(H,22,23)