ethyl 4-[[2-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]-1,3-thiazolidin-3-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]-1,3-thiazolidin-3-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[2-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]thiazolidine-3-carbothioyl]amino]benzoate CAS Name: 4-[[[2-[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-3-thiazolidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]-1,3-thiazolidine-3-carbothioyl]amino]benzoate Traditional Name: 4-[[2-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]thiazolidine-3-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H24N2O3S3 MolecularWeight: 460.63256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCSC2C3=CC=C(S3)C#CC(C)(C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCSC2C3=CC=C(S3)C#CC(C)(C)O

InChI

InChI=1S/C22H24N2O3S3/c1-4-27-20(25)15-5-7-16(8-6-15)23-21(28)24-13-14-29-19(24)18-10-9-17(30-18)11-12-22(2,3)26/h5-10,19,26H,4,13-14H2,1-3H3,(H,23,28)