ethyl 3-[(4-iodophenyl)methyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-thiophen-2-yl-propanoate

Systemtic Name: ethyl 3-[(4-iodophenyl)methyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-thiophen-2-yl-propanoate Openeye Name: ethyl 3-[(4-iodophenyl)methyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-(2-thienyl)propanoate CAS Name: 3-[(4-iodophenyl)methyl-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-iodophenyl)methyl-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(4-iodobenzyl)-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-(2-thienyl)propionic acid ethyl ester Formula: C26H30INO5S2 MolecularWeight: 627.55457

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CS1)N(CC2=CC=C(C=C2)I)S(=O)(=O)C3=C(C(=C(C=C3C)OC)C)C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CS1)N(CC2=CC=C(C=C2)I)S(=O)(=O)C3=C(C(=C(C=C3C)OC)C)C

InChI

InChI=1S/C26H30INO5S2/c1-6-33-25(29)15-22(24-8-7-13-34-24)28(16-20-9-11-21(27)12-10-20)35(30,31)26-17(2)14-23(32-5)18(3)19(26)4/h7-14,22H,6,15-16H2,1-5H3