(2S)-N-(4-ethoxy-3-methoxy-phenyl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-ethoxy-3-methoxy-phenyl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: (2S)-N-(4-ethoxy-3-methoxy-phenyl)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: (2S)-N-(4-ethoxy-3-methoxyphenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: (2S)-N-(4-ethoxy-3-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: (2S)-N-(4-ethoxy-3-methoxy-phenyl)-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)[C@H](C)SCC(=O)NC2=CC=C(C=C2)C)OC

InChI

InChI=1S/C21H26N2O4S/c1-5-27-18-11-10-17(12-19(18)26-4)23-21(25)15(3)28-13-20(24)22-16-8-6-14(2)7-9-16/h6-12,15H,5,13H2,1-4H3,(H,22,24)(H,23,25)/t15-/m0/s1