ethyl 4-(3,4-dimethoxyphenyl)-2-(ethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(ethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(ethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[ethylamino(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(ethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(ethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C(=CS1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

Isomeric SMILES

CCNC(=S)NC1=C(C(=CS1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

InChI

InChI=1S/C18H22N2O4S2/c1-5-19-18(25)20-16-15(17(21)24-6-2)12(10-26-16)11-7-8-13(22-3)14(9-11)23-4/h7-10H,5-6H2,1-4H3,(H2,19,20,25)