ethyl 5-(3,4-dimethoxyphenyl)-3-(ethylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(3,4-dimethoxyphenyl)-3-(ethylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(3,4-dimethoxyphenyl)-3-(ethylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 5-(3,4-dimethoxyphenyl)-3-[[ethylamino(sulfanylidene)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,4-dimethoxyphenyl)-3-(ethylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 5-(3,4-dimethoxyphenyl)-3-(ethylthiocarbamoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(SC(=C1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

Isomeric SMILES

CCNC(=S)NC1=C(SC(=C1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

InChI

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