(2-acetamido-4-methylsulfanyl-butanoyl)-[2-(3,4-diethoxyphenyl)ethyl]carbamic acid

Systemtic Name: (2-acetamido-4-methylsulfanyl-butanoyl)-[2-(3,4-diethoxyphenyl)ethyl]carbamic acid Openeye Name: (2-acetamido-4-methylsulfanyl-butanoyl)-[2-(3,4-diethoxyphenyl)ethyl]carbamic acid CAS Name: [2-acetamido-4-(methylthio)-1-oxobutyl]-[2-(3,4-diethoxyphenyl)ethyl]carbamic acid IUPAC Name: (2-acetamido-4-methylsulfanylbutanoyl)-[2-(3,4-diethoxyphenyl)ethyl]carbamic acid Traditional Name: [2-acetamido-4-(methylthio)butanoyl]-[2-(3,4-diethoxyphenyl)ethyl]carbamic acid Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN(C(=O)C(CCSC)NC(=O)C)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN(C(=O)C(CCSC)NC(=O)C)C(=O)O)OCC

InChI

InChI=1S/C20H30N2O6S/c1-5-27-17-8-7-15(13-18(17)28-6-2)9-11-22(20(25)26)19(24)16(10-12-29-4)21-14(3)23/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,21,23)(H,25,26)