prop-2-enyl 2-acetamido-3-[4-[[4-chloranylbutyl(methyl)amino]-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxyphenyl]propanoate

Systemtic Name: prop-2-enyl 2-acetamido-3-[4-[[4-chloranylbutyl(methyl)amino]-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxyphenyl]propanoate Openeye Name: allyl 2-acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-thienyl)methoxy]phosphoryl]oxyphenyl]propanoate CAS Name: 2-acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-thiophenyl)methoxy]phosphoryl]oxyphenyl]propanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxyphenyl]propanoate Traditional Name: 2-acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-thienyl)methoxy]phosphoryl]oxyphenyl]propionic acid allyl ester Formula: C24H31ClN3O8PS MolecularWeight: 588.010001

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(N(C)CCCCCl)OCC2=CC=C(S2)[N+](=O)[O-])C(=O)OCC=C

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(N(C)CCCCCl)OCC2=CC=C(S2)[N+](=O)[O-])C(=O)OCC=C

InChI

InChI=1S/C24H31ClN3O8PS/c1-4-15-34-24(30)22(26-18(2)29)16-19-7-9-20(10-8-19)36-37(33,27(3)14-6-5-13-25)35-17-21-11-12-23(38-21)28(31)32/h4,7-12,22H,1,5-6,13-17H2,2-3H3,(H,26,29)