methyl 4-(3-chlorophenyl)-5-methyl-2-(pentanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(3-chlorophenyl)-5-methyl-2-(pentanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(3-chlorophenyl)-5-methyl-2-(pentanoylamino)thiophene-3-carboxylate CAS Name: 4-(3-chlorophenyl)-5-methyl-2-(1-oxopentylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-chlorophenyl)-5-methyl-2-(pentanoylamino)thiophene-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-5-methyl-2-(valerylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(S1)C)C2=CC(=CC=C2)Cl)C(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(S1)C)C2=CC(=CC=C2)Cl)C(=O)OC

InChI

InChI=1S/C18H20ClNO3S/c1-4-5-9-14(21)20-17-16(18(22)23-3)15(11(2)24-17)12-7-6-8-13(19)10-12/h6-8,10H,4-5,9H2,1-3H3,(H,20,21)