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

Systemtic Name: 2-[[5-[(Z)-N-(cyclopropylcarbonylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(Z)-N-(cyclopropanecarbonylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(1Z)-1-[[cyclopropyl(oxo)methyl]hydrazinylidene]ethyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(Z)-N-(cyclopropanecarbonylamino)-C-methyl-carbonimidoyl]-2-methoxy-benzyl]thio]acetic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1CC1)C2=CC(=C(C=C2)OC)CSCC(=O)O

Isomeric SMILES

C/C(=N/NC(=O)C1CC1)/C2=CC(=C(C=C2)OC)CSCC(=O)O

InChI

InChI=1S/C16H20N2O4S/c1-10(17-18-16(21)11-3-4-11)12-5-6-14(22-2)13(7-12)8-23-9-15(19)20/h5-7,11H,3-4,8-9H2,1-2H3,(H,18,21)(H,19,20)/b17-10-