2-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]amino]-2-keto-ethyl]thio]benzoic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H21NO5S/c1-3-25-17-9-13-8-12(2)26-16(13)10-15(17)21-19(22)11-27-18-7-5-4-6-14(18)20(23)24/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,21,22)(H,23,24)/t12-/m0/s1