2-[[(2-chloranyl-4-ethylsulfanyl-phenyl)carbonyl-methyl-carbamoyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[(2-chloranyl-4-ethylsulfanyl-phenyl)carbonyl-methyl-carbamoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[(2-chloro-4-ethylsulfanyl-benzoyl)-methyl-carbamoyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[[[[2-chloro-4-(ethylthio)phenyl]-oxomethyl]-methylamino]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[(2-chloro-4-ethylsulfanylbenzoyl)-methylcarbamoyl]amino]-2-phenylacetic acid Traditional Name: 2-[[[2-chloro-4-(ethylthio)benzoyl]-methyl-carbamoyl]amino]-2-phenyl-acetic acid Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C=C1)C(=O)N(C)C(=O)NC(C2=CC=CC=C2)C(=O)O)Cl

Isomeric SMILES

CCSC1=CC(=C(C=C1)C(=O)N(C)C(=O)NC(C2=CC=CC=C2)C(=O)O)Cl

InChI

InChI=1S/C19H19ClN2O4S/c1-3-27-13-9-10-14(15(20)11-13)17(23)22(2)19(26)21-16(18(24)25)12-7-5-4-6-8-12/h4-11,16H,3H2,1-2H3,(H,21,26)(H,24,25)