2-[[(E)-(2,2-dimethyl-4-oxidanylidene-thiochromen-3-ylidene)methyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[(E)-(2,2-dimethyl-4-oxidanylidene-thiochromen-3-ylidene)methyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[(E)-(2,2-dimethyl-4-oxo-thiochroman-3-ylidene)methyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[(E)-(2,2-dimethyl-4-oxo-1-benzothiopyran-3-ylidene)methyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[(E)-(2,2-dimethyl-4-oxothiochromen-3-ylidene)methyl]amino]-2-phenylacetic acid Traditional Name: 2-[[(E)-(4-keto-2,2-dimethyl-thiochroman-3-ylidene)methyl]amino]-2-phenyl-acetic acid Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CNC(C2=CC=CC=C2)C(=O)O)C(=O)C3=CC=CC=C3S1)C

Isomeric SMILES

CC1(/C(=C/NC(C2=CC=CC=C2)C(=O)O)/C(=O)C3=CC=CC=C3S1)C

InChI

InChI=1S/C20H19NO3S/c1-20(2)15(18(22)14-10-6-7-11-16(14)25-20)12-21-17(19(23)24)13-8-4-3-5-9-13/h3-12,17,21H,1-2H3,(H,23,24)/b15-12+