[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C17H18ClNO3S MolecularWeight: 351.84772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(S2)Cl

InChI

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