methyl 5-ethyl-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[2-(4-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[2-(4-methoxyphenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCC2=CC=C(C=C2)OC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCC2=CC=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C18H22N2O3S2/c1-4-14-11-15(17(21)23-3)16(25-14)20-18(24)19-10-9-12-5-7-13(22-2)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H2,19,20,24)