ethyl 4-ethoxycarbothioylsulfanyl-5-[(4-methoxyphenyl)-methylsulfonyl-amino]pentanoate

Systemtic Name: ethyl 4-ethoxycarbothioylsulfanyl-5-[(4-methoxyphenyl)-methylsulfonyl-amino]pentanoate Openeye Name: ethyl 4-ethoxycarbothioylsulfanyl-5-(4-methoxy-N-methylsulfonyl-anilino)pentanoate CAS Name: 4-[[ethoxy(sulfanylidene)methyl]thio]-5-(4-methoxy-N-methylsulfonylanilino)pentanoic acid ethyl ester IUPAC Name: ethyl 4-ethoxycarbothioylsulfanyl-5-(4-methoxy-N-methylsulfonylanilino)pentanoate Traditional Name: 4-(ethoxycarbothioylthio)-5-(N-mesyl-4-methoxy-anilino)valeric acid ethyl ester Formula: C18H27NO6S3 MolecularWeight: 449.60508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(CN(C1=CC=C(C=C1)OC)S(=O)(=O)C)SC(=S)OCC

Isomeric SMILES

CCOC(=O)CCC(CN(C1=CC=C(C=C1)OC)S(=O)(=O)C)SC(=S)OCC

InChI

InChI=1S/C18H27NO6S3/c1-5-24-17(20)12-11-16(27-18(26)25-6-2)13-19(28(4,21)22)14-7-9-15(23-3)10-8-14/h7-10,16H,5-6,11-13H2,1-4H3