ethyl 4-(4-methoxyphenyl)-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-(valerylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S2/c1-4-6-7-16(23)21-20(27)22-18-17(19(24)26-5-2)15(12-28-18)13-8-10-14(25-3)11-9-13/h8-12H,4-7H2,1-3H3,(H2,21,22,23,27)