N,N-dimethyl-2-[6-(thiophen-2-ylmethylideneamino)-1,3-benzodioxol-5-yl]ethanamine; 2-oxidanyl-2,2-diphenyl-ethanoic acid

Systemtic Name: N,N-dimethyl-2-[6-(thiophen-2-ylmethylideneamino)-1,3-benzodioxol-5-yl]ethanamine; 2-oxidanyl-2,2-diphenyl-ethanoic acid Openeye Name: N,N-dimethyl-2-[6-(2-thienylmethyleneamino)-1,3-benzodioxol-5-yl]ethanamine; 2-hydroxy-2,2-diphenyl-acetic acid CAS Name: N,N-dimethyl-2-[6-(thiophen-2-ylmethylideneamino)-1,3-benzodioxol-5-yl]ethanamine; 2-hydroxy-2,2-diphenylacetic acid IUPAC Name: N,N-dimethyl-2-[6-(thiophen-2-ylmethylideneamino)-1,3-benzodioxol-5-yl]ethanamine; 2-hydroxy-2,2-diphenylacetic acid Traditional Name: benzilic acid; dimethyl-[2-[6-(2-thenylideneamino)-1,3-benzodioxol-5-yl]ethyl]amine Formula: C30H30N2O5S MolecularWeight: 530.6346

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC2=C(C=C1N=CC3=CC=CS3)OCO2.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O

Isomeric SMILES

CN(C)CCC1=CC2=C(C=C1N=CC3=CC=CS3)OCO2.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C16H18N2O2S.C14H12O3/c1-18(2)6-5-12-8-15-16(20-11-19-15)9-14(12)17-10-13-4-3-7-21-13;15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3-4,7-10H,5-6,11H2,1-2H3;1-10,17H,(H,15,16)