3-bromanyl-5-[(S)-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2R,5S)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]methyl]thiophene-2-carboxylic acid

Systemtic Name: 3-bromanyl-5-[(S)-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2R,5S)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(S)-[(2R,5S)-4-allyl-2,5-dimethyl-piperazin-1-yl]-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-bromo-thiophene-2-carboxylic acid CAS Name: 3-bromo-5-[(S)-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2R,5S)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]methyl]-2-thiophenecarboxylic acid IUPAC Name: 3-bromo-5-[(S)-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2R,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]methyl]thiophene-2-carboxylic acid Traditional Name: 5-[(S)-[(2R,5S)-4-allyl-2,5-dimethyl-piperazino]-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-bromo-2-thenoic acid Formula: C27H39BrN2O3SSi MolecularWeight: 579.66466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC(=CC=C2)O[Si](C)(C)C(C)(C)C)C3=CC(=C(S3)C(=O)O)Br)C)CC=C

Isomeric SMILES

C[C@@H]1CN([C@H](CN1[C@@H](C2=CC(=CC=C2)O[Si](C)(C)C(C)(C)C)C3=CC(=C(S3)C(=O)O)Br)C)CC=C

InChI

InChI=1S/C27H39BrN2O3SSi/c1-9-13-29-16-19(3)30(17-18(29)2)24(23-15-22(28)25(34-23)26(31)32)20-11-10-12-21(14-20)33-35(7,8)27(4,5)6/h9-12,14-15,18-19,24H,1,13,16-17H2,2-8H3,(H,31,32)/t18-,19+,24-/m0/s1