methyl 3-[[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[4-chloro-3-(2-thenoylamino)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H19ClN2O4S/c1-29-20(26)13-17(14-6-3-2-4-7-14)24-21(27)15-9-10-16(23)18(12-15)25-22(28)19-8-5-11-30-19/h2-12,17H,13H2,1H3,(H,24,27)(H,25,28)