ethyl 2-[2-(2-morpholin-4-ylcarbothioylsulfanylhexanoylamino)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-morpholin-4-ylcarbothioylsulfanylhexanoylamino)-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(morpholine-4-carbothioylsulfanyl)hexanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-[[4-morpholinyl(sulfanylidene)methyl]thio]-1-oxohexyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(morpholine-4-carbothioylsulfanyl)hexanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-(morpholine-4-carbothioylthio)hexanoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C18H27N3O4S3 MolecularWeight: 445.61968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC(=S)N2CCOCC2

Isomeric SMILES

CCCCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC(=S)N2CCOCC2

InChI

InChI=1S/C18H27N3O4S3/c1-3-5-6-14(28-18(26)21-7-9-24-10-8-21)16(23)20-17-19-13(12-27-17)11-15(22)25-4-2/h12,14H,3-11H2,1-2H3,(H,19,20,23)