methyl 2-(4-chloranylbutanoylamino)-4-(4-methylphenyl)thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCCCl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCCCl

InChI

InChI=1S/C17H18ClNO3S/c1-11-5-7-12(8-6-11)13-10-23-16(15(13)17(21)22-2)19-14(20)4-3-9-18/h5-8,10H,3-4,9H2,1-2H3,(H,19,20)