2-[[2-methoxy-5-[(Z)-C-methyl-N-(pyridin-4-ylcarbonylamino)carbonimidoyl]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-(pyridin-4-ylcarbonylamino)carbonimidoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(1Z)-1-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]ethyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(Z)-N-isonicotinamido-C-methyl-carbonimidoyl]-2-methoxy-benzyl]thio]acetic acid Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=NC=C1)C2=CC(=C(C=C2)OC)CSCC(=O)O

Isomeric SMILES

C/C(=N/NC(=O)C1=CC=NC=C1)/C2=CC(=C(C=C2)OC)CSCC(=O)O

InChI

InChI=1S/C18H19N3O4S/c1-12(20-21-18(24)13-5-7-19-8-6-13)14-3-4-16(25-2)15(9-14)10-26-11-17(22)23/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,23)/b20-12-