[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranylthiophene-2-carboxylate

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C18H20ClNO3S/c1-11(23-17(22)14-9-10-15(19)24-14)16(21)20-13-7-5-12(6-8-13)18(2,3)4/h5-11H,1-4H3,(H,20,21)