methyl 2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(4-ethoxycarbonylphenyl)carbamothioylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[(4-carbethoxyphenyl)thiocarbamoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C20H22N2O6S/c1-5-28-18(23)12-6-8-13(9-7-12)21-20(29)22-15-11-17(26-3)16(25-2)10-14(15)19(24)27-4/h6-11H,5H2,1-4H3,(H2,21,22,29)