[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC2=C(C=CC=C2C(C)C)C)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC2=C(C=CC=C2C(C)C)C)C

InChI

InChI=1S/C21H27NO3S/c1-6-8-16-11-18(26-15(16)5)21(24)25-12-19(23)22-20-14(4)9-7-10-17(20)13(2)3/h7,9-11,13H,6,8,12H2,1-5H3,(H,22,23)