ethyl 4-[2-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CC=C2C(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CC=C2C(C)C)C

InChI

InChI=1S/C23H28N2O4S/c1-5-29-23(28)17-9-11-18(12-10-17)24-20(26)13-30-14-21(27)25-22-16(4)7-6-8-19(22)15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,24,26)(H,25,27)