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

Systemtic Name: ethyl 5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate CAS Name: 5-[[4-[(4-methoxyphenyl)thio]-1-oxobutyl]amino]-3-methyl-4-(methylcarbamoyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylate Traditional Name: 5-[4-[(4-methoxyphenyl)thio]butanoylamino]-3-methyl-4-(methylcarbamoyl)thiophene-2-carboxylic acid ethyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCSC2=CC=C(C=C2)OC)C(=O)NC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCSC2=CC=C(C=C2)OC)C(=O)NC)C

InChI

InChI=1S/C21H26N2O5S2/c1-5-28-21(26)18-13(2)17(19(25)22-3)20(30-18)23-16(24)7-6-12-29-15-10-8-14(27-4)9-11-15/h8-11H,5-7,12H2,1-4H3,(H,22,25)(H,23,24)