ethyl 5-(5-chloranylthiophen-2-yl)-5-methyl-3-(4-pentylphenyl)carbonyl-2-sulfanylidene-1,3-oxazolidine-4-carboxylate

Systemtic Name: ethyl 5-(5-chloranylthiophen-2-yl)-5-methyl-3-(4-pentylphenyl)carbonyl-2-sulfanylidene-1,3-oxazolidine-4-carboxylate Openeye Name: ethyl 5-(5-chloro-2-thienyl)-5-methyl-3-(4-pentylbenzoyl)-2-thioxo-oxazolidine-4-carboxylate CAS Name: 5-(5-chloro-2-thiophenyl)-5-methyl-3-[oxo-(4-pentylphenyl)methyl]-2-sulfanylidene-4-oxazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(5-chlorothiophen-2-yl)-5-methyl-3-(4-pentylbenzoyl)-2-sulfanylidene-1,3-oxazolidine-4-carboxylate Traditional Name: 3-(4-amylbenzoyl)-5-(5-chloro-2-thienyl)-5-methyl-2-thioxo-oxazolidine-4-carboxylic acid ethyl ester Formula: C23H26ClNO4S2 MolecularWeight: 480.03984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2C(C(OC2=S)(C)C3=CC=C(S3)Cl)C(=O)OCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2C(C(OC2=S)(C)C3=CC=C(S3)Cl)C(=O)OCC

InChI

InChI=1S/C23H26ClNO4S2/c1-4-6-7-8-15-9-11-16(12-10-15)20(26)25-19(21(27)28-5-2)23(3,29-22(25)30)17-13-14-18(24)31-17/h9-14,19H,4-8H2,1-3H3