methyl 3-[4-[(5-carbamothioyl-1-benzofuran-2-yl)carbonylamino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[(5-carbamothioyl-1-benzofuran-2-yl)carbonylamino]phenyl]propanoate Openeye Name: methyl 3-[4-[(5-carbamothioylbenzofuran-2-carbonyl)amino]phenyl]propanoate CAS Name: 3-[4-[[(5-carbamothioyl-2-benzofuranyl)-oxomethyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(5-carbamothioyl-1-benzofuran-2-carbonyl)amino]phenyl]propanoate Traditional Name: 3-[4-[(5-thiocarbamoylbenzofuran-2-carbonyl)amino]phenyl]propionic acid methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=S)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=S)N

InChI

InChI=1S/C20H18N2O4S/c1-25-18(23)9-4-12-2-6-15(7-3-12)22-20(24)17-11-14-10-13(19(21)27)5-8-16(14)26-17/h2-3,5-8,10-11H,4,9H2,1H3,(H2,21,27)(H,22,24)