2-[(4-cyanophenyl)amino]-2-(3-ethylsulfanyl-4-methoxy-phenyl)ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(3-ethylsulfanyl-4-methoxy-phenyl)ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-(3-ethylsulfanyl-4-methoxy-phenyl)acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-(ethylthio)-4-methoxyphenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(3-ethylsulfanyl-4-methoxyphenyl)acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[3-(ethylthio)-4-methoxy-phenyl]acetic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

CCSC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C18H18N2O3S/c1-3-24-16-10-13(6-9-15(16)23-2)17(18(21)22)20-14-7-4-12(11-19)5-8-14/h4-10,17,20H,3H2,1-2H3,(H,21,22)