2-[2-[(3,4-dimethoxyphenyl)carbamoyl]-6-methoxy-phenyl]selanylsulfanylbutanedioic acid

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)carbamoyl]-6-methoxy-phenyl]selanylsulfanylbutanedioic acid Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)carbamoyl]-6-methoxy-phenyl]selanylsulfanylbutanedioic acid CAS Name: 2-[[[2-[(3,4-dimethoxyanilino)-oxomethyl]-6-methoxyphenyl]seleno]thio]butanedioic acid IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)carbamoyl]-6-methoxyphenyl]selanylsulfanylbutanedioic acid Traditional Name: 2-[[[2-[(3,4-dimethoxyphenyl)carbamoyl]-6-methoxy-phenyl]seleno]thio]succinic acid Formula: C20H21NO8SSe MolecularWeight: 514.40764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)OC)[Se]SC(CC(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)OC)[Se]SC(CC(=O)O)C(=O)O)OC

InChI

InChI=1S/C20H21NO8SSe/c1-27-13-8-7-11(9-15(13)29-3)21-19(24)12-5-4-6-14(28-2)18(12)31-30-16(20(25)26)10-17(22)23/h4-9,16H,10H2,1-3H3,(H,21,24)(H,22,23)(H,25,26)