methyl 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-5-sulfanylidene-pentanoate

Systemtic Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-5-sulfanylidene-pentanoate Openeye Name: methyl 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-thioxo-pentanoate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-5-sulfanylidenepentanoic acid methyl ester IUPAC Name: methyl 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-5-sulfanylidenepentanoate Traditional Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-thioxo-valeric acid methyl ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CCC=S)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CCC=S)C(=O)OC

InChI

InChI=1S/C20H23NO5S2/c1-25-17-10-12-18(13-11-17)28(23,24)21(15-16-7-4-3-5-8-16)19(9-6-14-27)20(22)26-2/h3-5,7-8,10-14,19H,6,9,15H2,1-2H3