methyl 2-(3-chloranylpropanoylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(3-chloranylpropanoylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(3-chloropropanoylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[(3-chloro-1-oxopropyl)amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-chloropropanoylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-(3-chloropropanoylamino)-4-(3,4-dimethylphenyl)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(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCCl)C

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO3S/c1-10-4-5-12(8-11(10)2)13-9-23-16(15(13)17(21)22-3)19-14(20)6-7-18/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)