O-ethyl [1-[(4-bromophenyl)-methylsulfonyl-amino]-4,4-bis(dimethoxyphosphoryl)butan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [1-[(4-bromophenyl)-methylsulfonyl-amino]-4,4-bis(dimethoxyphosphoryl)butan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [1-[(4-bromo-N-methylsulfonyl-anilino)methyl]-3,3-bis(dimethoxyphosphoryl)propyl]sulfanylmethanethioate CAS Name: [[1-(4-bromo-N-methylsulfonylanilino)-4,4-bis(dimethoxyphosphoryl)butan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [1-(4-bromo-N-methylsulfonylanilino)-4,4-bis(dimethoxyphosphoryl)butan-2-yl]sulfanylmethanethioate Traditional Name: [[1-[(4-bromo-N-mesyl-anilino)methyl]-3,3-bis(dimethoxyphosphoryl)propyl]thio]methanethioic acid O-ethyl ester Formula: C18H30BrNO9P2S3 MolecularWeight: 642.478622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CC(P(=O)(OC)OC)P(=O)(OC)OC)CN(C1=CC=C(C=C1)Br)S(=O)(=O)C

Isomeric SMILES

CCOC(=S)SC(CC(P(=O)(OC)OC)P(=O)(OC)OC)CN(C1=CC=C(C=C1)Br)S(=O)(=O)C

InChI

InChI=1S/C18H30BrNO9P2S3/c1-7-29-18(32)33-16(12-17(30(21,25-2)26-3)31(22,27-4)28-5)13-20(34(6,23)24)15-10-8-14(19)9-11-15/h8-11,16-17H,7,12-13H2,1-6H3