methyl 2-(4-chloranylbutanoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(4-chloranylbutanoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(4-chlorobutanoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(4-chloro-1-oxobutyl)amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-chlorobutanoylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(4-chlorobutanoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C17H18ClNO3S MolecularWeight: 351.84772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCCCl)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCCCl)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C17H18ClNO3S/c1-11-14(12-7-4-3-5-8-12)15(17(21)22-2)16(23-11)19-13(20)9-6-10-18/h3-5,7-8H,6,9-10H2,1-2H3,(H,19,20)