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

Systemtic Name: 2-[2-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]-6-methoxy-phenyl]selanylsulfanylbutanedioic acid Openeye Name: 2-[2-[(3-chloro-4-methoxy-phenyl)carbamoyl]-6-methoxy-phenyl]selanylsulfanylbutanedioic acid CAS Name: 2-[[[2-[(3-chloro-4-methoxyanilino)-oxomethyl]-6-methoxyphenyl]seleno]thio]butanedioic acid IUPAC Name: 2-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]-6-methoxyphenyl]selanylsulfanylbutanedioic acid Traditional Name: 2-[[[2-[(3-chloro-4-methoxy-phenyl)carbamoyl]-6-methoxy-phenyl]seleno]thio]succinic acid Formula: C19H18ClNO7SSe MolecularWeight: 518.82672

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO7SSe/c1-27-13-7-6-10(8-12(13)20)21-18(24)11-4-3-5-14(28-2)17(11)30-29-15(19(25)26)9-16(22)23/h3-8,15H,9H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)