methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(3,4-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-(veratrylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=CC(=C(C=C2)OC)OC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=CC(=C(C=C2)OC)OC)C(=O)OC

InChI

InChI=1S/C18H22N2O4S2/c1-5-12-9-13(17(21)24-4)16(26-12)20-18(25)19-10-11-6-7-14(22-2)15(8-11)23-3/h6-9H,5,10H2,1-4H3,(H2,19,20,25)