[(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(2S)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H13ClN2O5S MolecularWeight: 392.81352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C17H13ClN2O5S/c1-8(15(22)20-16-11(14(19)21)4-5-26-16)24-17(23)13-7-9-6-10(18)2-3-12(9)25-13/h2-8H,1H3,(H2,19,21)(H,20,22)/t8-/m0/s1