ethyl 4-aminocarbonyl-5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-carbamoyl-5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-carbamoyl-5-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-carbamoyl-5-[4-[(4-chlorophenyl)thio]butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H21ClN2O4S2 MolecularWeight: 440.96404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4S2/c1-3-26-19(25)16-11(2)15(17(21)24)18(28-16)22-14(23)5-4-10-27-13-8-6-12(20)7-9-13/h6-9H,3-5,10H2,1-2H3,(H2,21,24)(H,22,23)