methyl 3-[[3-[2-ethylsulfanylethanoyl-[(4-hydroxyphenyl)methyl]amino]phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[[3-[2-ethylsulfanylethanoyl-[(4-hydroxyphenyl)methyl]amino]phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[3-[(2-ethylsulfanylacetyl)-[(4-hydroxyphenyl)methyl]amino]anilino]-3-oxo-propanoate CAS Name: 3-[3-[[2-(ethylthio)-1-oxoethyl]-[(4-hydroxyphenyl)methyl]amino]anilino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[3-[(2-ethylsulfanylacetyl)-[(4-hydroxyphenyl)methyl]amino]anilino]-3-oxopropanoate Traditional Name: 3-[3-[[2-(ethylthio)acetyl]-(4-hydroxybenzyl)amino]anilino]-3-keto-propionic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(=O)N(CC1=CC=C(C=C1)O)C2=CC=CC(=C2)NC(=O)CC(=O)OC

Isomeric SMILES

CCSCC(=O)N(CC1=CC=C(C=C1)O)C2=CC=CC(=C2)NC(=O)CC(=O)OC

InChI

InChI=1S/C21H24N2O5S/c1-3-29-14-20(26)23(13-15-7-9-18(24)10-8-15)17-6-4-5-16(11-17)22-19(25)12-21(27)28-2/h4-11,24H,3,12-14H2,1-2H3,(H,22,25)