4-[2-(4-aminophenyl)-1-benzofuran-5-yl]-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[2-(4-aminophenyl)-1-benzofuran-5-yl]-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[2-(4-aminophenyl)benzofuran-5-yl]-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[2-(4-aminophenyl)-5-benzofuranyl]-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[2-(4-aminophenyl)-1-benzofuran-5-yl]-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[2-(4-aminophenyl)benzofuran-5-yl]-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)C2=CC3=C(C=C2)OC(=C3)C4=CC=C(C=C4)N)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)C2=CC3=C(C=C2)OC(=C3)C4=CC=C(C=C4)N)C(=O)O)C

InChI

InChI=1S/C21H22N2O3S/c1-21(2)19(20(24)25)23(9-10-27-21)16-7-8-17-14(11-16)12-18(26-17)13-3-5-15(22)6-4-13/h3-8,11-12,19H,9-10,22H2,1-2H3,(H,24,25)