methyl 2-(3-chloranylpropanoylamino)-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3-chloranylpropanoylamino)-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3-chloropropanoylamino)-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[(3-chloro-1-oxopropyl)amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-chloropropanoylamino)-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-(3-chloropropanoylamino)-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCCl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCCl)C

InChI

InChI=1S/C18H20ClNO4S/c1-4-24-13-7-5-12(6-8-13)15-11(2)25-17(16(15)18(22)23-3)20-14(21)9-10-19/h5-8H,4,9-10H2,1-3H3,(H,20,21)