methyl 3-[4-(4-methoxyphenyl)-2-(2-morpholin-4-ylcarbothioylsulfanylethanoylamino)-1,3-thiazol-5-yl]propanoate

Systemtic Name: methyl 3-[4-(4-methoxyphenyl)-2-(2-morpholin-4-ylcarbothioylsulfanylethanoylamino)-1,3-thiazol-5-yl]propanoate Openeye Name: methyl 3-[4-(4-methoxyphenyl)-2-[[2-(morpholine-4-carbothioylsulfanyl)acetyl]amino]thiazol-5-yl]propanoate CAS Name: 3-[4-(4-methoxyphenyl)-2-[[2-[[4-morpholinyl(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-5-thiazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-methoxyphenyl)-2-[[2-(morpholine-4-carbothioylsulfanyl)acetyl]amino]-1,3-thiazol-5-yl]propanoate Traditional Name: 3-[4-(4-methoxyphenyl)-2-[[2-(morpholine-4-carbothioylthio)acetyl]amino]thiazol-5-yl]propionic acid methyl ester Formula: C21H25N3O5S3 MolecularWeight: 495.6353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CSC(=S)N3CCOCC3)CCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CSC(=S)N3CCOCC3)CCC(=O)OC

InChI

InChI=1S/C21H25N3O5S3/c1-27-15-5-3-14(4-6-15)19-16(7-8-18(26)28-2)32-20(23-19)22-17(25)13-31-21(30)24-9-11-29-12-10-24/h3-6H,7-13H2,1-2H3,(H,22,23,25)