[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[[(3,4-diethoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl)OCC

InChI

InChI=1S/C21H23ClN2O6S/c1-4-28-17-9-6-13(10-18(17)29-5-2)23-21(27)24-19(25)12-30-20(26)15-11-14(31-3)7-8-16(15)22/h6-11H,4-5,12H2,1-3H3,(H2,23,24,25,27)