ethyl 2-[2-[(2-chloranyl-4-methyl-phenyl)amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2-chloranyl-4-methyl-phenyl)amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-chloro-4-methyl-anilino)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-chloro-4-methylanilino)-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-chloro-4-methyl-anilino)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CNC2=C(C=C(C=C2)C)Cl)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CNC2=C(C=C(C=C2)C)Cl)C(=O)OCC

InChI

InChI=1S/C18H21ClN2O3S/c1-4-12-9-13(18(23)24-5-2)17(25-12)21-16(22)10-20-15-7-6-11(3)8-14(15)19/h6-9,20H,4-5,10H2,1-3H3,(H,21,22)