2-[[5-[(Z)-N-[(4-ethylphenyl)carbonylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[5-[(Z)-N-[(4-ethylphenyl)carbonylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(Z)-N-[(4-ethylbenzoyl)amino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[5-[(1Z)-1-[[(4-ethylphenyl)-oxomethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]methylthio]acetate IUPAC Name: 2-[[5-[(Z)-N-[(4-ethylbenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]methylsulfanyl]acetate Traditional Name: 2-[[5-[(Z)-N-[(4-ethylbenzoyl)amino]-C-methyl-carbonimidoyl]-2-methoxy-benzyl]thio]acetate Formula: C21H23N2O4S- MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NN=C(C)C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N/N=C(/C)\C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

InChI

InChI=1S/C21H24N2O4S/c1-4-15-5-7-16(8-6-15)21(26)23-22-14(2)17-9-10-19(27-3)18(11-17)12-28-13-20(24)25/h5-11H,4,12-13H2,1-3H3,(H,23,26)(H,24,25)/p-1/b22-14-